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Table C.1

Molecules and parameters used for the IRAS 16293B synthetic spectrum.

Molecule Name Tag Database NT Tex
(cm−2) (K)
CCH Ethynyl radical 25 501 CDMS 3.00 × 1013 120
HCN Hydrogen cyanide 27 501 CDMS 5.00 × 1016 120
HNC Hydrogen isocyanide 27 502 CDMS 5.00 × 1016 120
H13CN Hydrogen cyanide 28 501 CDMS 2.00 × 1014 300
CO Carbon monoxide 28 503 CDMS 1.00 × 1020 100
HC15N Hydrogen cyanide 28 506 CDMS 2.00 × 1014 300
DNC Hydrogen cyanide 28 508 CDMS 7.00 × 1014 300
13CO Carbon monoxide 29 501 CDMS 3.10 × 1019 100
C17O Carbon monoxide 29 503 CDMS 8.00 × 1016 100
H13C15 Hydrogen cyanide 29 512 CDMS 2.00 × 1014 300
HNCH2 Methanimine 29 518 CDMS 8.00 × 1014 100
NO Nitrogen oxide 30 008 JPL 2.00 × 1016 100
H2CO Formaldehyde 30 501 CDMS 1.80 × 1018 105
C18O Carbon monoxide 30 502 CDMS 1.00 × 1017 100
DCO+ Formyl radical 30 510 CDMS 3.00 × 1012 29
CH3NH2 Methylamine 31 008 JPL 5.30 × 1014 100
HDCO Formaldehyde 31 501 CDMS 1.30 × 1017 105
HCO Formaldehyde 31 503 CDMS 3.60 × 1016 105
D2CO Formaldehyde 32 502 CDMS 1.60 × 1016 105
H2C18O Formaldehyde 32 503 CDMS 2.50 × 1015 105
CH3OH Methanol 32 504 CDMS 2.00 × 1019 300
CH2DOH Methanol 33 004 JPL 7.10 × 1017 300
13CH3OH Methanol 33 502 CDMS 4.00 × 1016 300
NH2OH Hydroxylamine 33 503 CDMS 3.70 × 1014 100
DCO Formaldehyde 33 506 CDMS 2.20 × 1014 105
HDC18O Formaldehyde 33 510 CDMS 1.40 × 1014 105
H2S Hydrogen sulphide 34 502 CDMS 1.00 × 1018 125
CHOH Methanol 34 504 CDMS 2.00 × 1016 300
HDS Hydrogen sulphide 35 502 CDMS 2.00 × 1016 125
HD34S Hydrogen sulphide 37 503 CDMS 1.00 × 1015 125
c-C3 H2 Cyclopropenylidene 38 508 CDMS 2.00 × 1014 100
CH3 CCH Propyne 40 502 CDMS 6.80 × 1015 100
CH3 CN Acetonitrile 41 505 CDMS 4.00 × 1016 120
CH3 CN ν8 = 1 Acetonitrile 41 509 CDMS 4.00 × 1016 120
CH3 NC Methyl isocyanide 41 514 CDMS 2.00 × 1014 150
H2 CCO Ketene 42 501 CDMS 4.80 × 1016 125
HNCNH Carbodiimide 42 506 CDMS 2.40 × 1016 300
13 CH3 CN Acetonitrile 42 508 CDMS 3.30 × 1014 130
CHCN Acetonitrile 42 509 CDMS 3.00 × 1014 130
CH3 C15 N Acetonitrile 42 510 CDMS 8.70 × 1013 130
CH2 DCN Acetonitrile 42 511 CDMS 5.60 × 1014 130
H2 C13 CO Ketene 43 505 CDMS 7.10 × 1014 125
HCCO Ketene 43 506 CDMS 7.10 × 1014 125
HDC2 O Ketene 43 507 CDMS 2.00 × 1015 125
HNCO Isocyanic acid 43 511 CDMS 3.70 × 1016 300
CHD2 CN Acetonitrile 43 514 CDMS 1.20 × 1014 130
H2 N13 CN Cyanamide 43 515 CDMS 3.00 × 1013 300
N2 O Nitrous oxide 44 004 JPL 5.00 × 1016 100
DNCO Isocyanic acid 44 006 JPL 3.00 × 1014 300
HN13 CO Isocyanic acid 44 008 JPL 4.00 × 1014 300
CS Carbon monosulphide 44 501 CDMS 1.00 × 1016 125
c-C2 H4 O Ethylene oxide 44 504 CDMS 4.10 × 1015 125
SiO Silicon monoxide 44 505 CDMS 7.00 × 1013 300
s-H2 CCHOH Vinylalcohol 44 506 CDMS 1.20 × 1017 125
a-H2CCHOH Vinylalcohol 44 507 CDMS 1.20 × 1017 125
C33S Carbon monosulphide 45 502 CDMS 1.00 × 1014 125
NH2CHO Formamide 45 512 CDMS 1.00 × 1016 300
CH3CDO Acetaldehyde 45 524 CDMS 7.40 × 1015 125
CH2DCHO Acetaldehyde 45 525 CDMS 6.20 × 1015 125
C34S Carbon monosulphide 46 501 CDMS 3.00 × 1014 125
t-HCOOH Formic acid 46 506 CDMS 5.08 × 1016 300
H2CS Thioformaldehyde 46 509 CDMS 1.50 × 1015 125
NHCHO Formamide 46 512 CDMS 1.00 × 1014 300
CH3OCH3 Dimethyl ether 46 514 CDMS 3.00 × 1017 125
NH2CDO Formamide 46 520 CDMS 1.40 × 1014 300
cis-NHDCHO Formamide 46 521 CDMS 1.40 × 1014 300
trans-NHDCHO Formamide 46 522 CDMS 1.20 × 1014 300
C2H5OH Ethanol 46 524 CDMS 2.30 × 1017 300
HONO Nitrous acid 47 007 JPL 9.00 × 1014 100
t-H13COOH Formic acid 47 503 CDMS 8.30 × 1014 300
HDCS Thioformaldehyde 47 504 CDMS 1.50 × 1014 125
CHCH2OH Ethanol 47 511 CDMS 4.60 × 1014 300
13CH3CH2OH Ethanol 47 512 CDMS 4.60 × 1014 300
CH3CH2OD Ethanol 47 515 CDMS 5.75 × 1014 300
CH3CHDOH Ethanol 47 516 CDMS 1.15 × 1015 300
a-CH2DCH2OH Ethanol 47 517 CDMS 1.34 × 1015 300
s-CH2DCH2OH Ethanol 47 518 CDMS 6.51 × 1014 300
SO sulphur monoxide 48 501 CDMS 5.00 × 1014 125
C36S Carbon monosulphide 48 503 CDMS 2.00 × 1013 125
CH3SH Methyl mercaptan 48 510 CDMS 5.50 × 1015 125
CHCl Chloromethane 50 007 JPL 3.10 × 1013 125
HC3N Cyanoacetylene 51 501 CDMS 1.40 × 1014 100
CHCl Chloromethane 52 009 JPL 2.20 × 1014 125
C2H3CN Vinyl cyanide 53 515 CDMS 4.80 × 1014 110
C2H5CN Ethyl cyanide 55 502 CDMS 1.50 × 1015 160
CH3 NCO Methyl isocyanate 57 505 CDMS 3.00 × 1015 300
CH3 C(O)CH3 Acetone 58 003 JPL 3.40 × 1016 125
CH3 CH2 CHO Propanal 58 505 CDMS 1.48 × 1015 125
CH3 OCHO Methylformate 60 003 JPL 2.60 × 1017 300
HOCH2 CHO Glycolaldehyde 60 501 CDMS 3.40 × 1016 300
OCS Carbonyl sulphide 60 503 CDMS 2.00 × 1016 125
OCS ν2 = 1 Carbonyl sulphide 60 504 CDMS 2.00 × 1017 125
CH3 COOH Acetic acid 60 523 CDMS 3.00 × 1015 300
O13 CS Carbonyl sulphide 61 502 CDMS 5.00 × 1015 125
OC33 S Carbonyl sulphide 61 503 CDMS 3.00 × 1015 100
HOCHCHO Glycolaldehyde 61 513 CDMS 4.46 × 1014 300
HO13 CH2 CHO Glycolaldehyde 61 514 CDMS 4.46 × 1014 300
CH3 O13 CHO Glycolaldehyde 61 515 CDMS 6.30 × 1015 300
DOCH2 CHO Glycolaldehyde 61 516 CDMS 4.86 × 1014 300
HOCHDCHO Glycolaldehyde 61 517 CDMS 1.27 × 1015 300
HOCH2 CDO Glycolaldehyde 61 518 CDMS 6.25 × 1014 300
a-(CH2 OH)2 Ethylene glycol 62 503 CDMS 1.37 × 1016 300
s-(CH2 OH)2 Ethylene glycol 62 504 CDMS 3.62 × 1016 300
OC34 S Carbonyl sulphide 62 505 CDMS 1.50 × 1016 125
18 OCS Carbonyl sulphide 62 506 CDMS 7.00 × 1014 125
SO2 sulphur dioxide 64 502 CDMS 1.50 × 1015 125
S34 O2 Sulphur dioxide 66 501 CDMS 4.00 × 1014 125

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