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Table 3.

Predicted spectroscopic constants (in MHz) for isotopic species of CH3C3N and CH3C4H.

Species B
13CH3CCCN 2010.51
CHCCCN 2054.75
CH3C13CCN 2065.71
CH3CC13CN 2048.72
CH3CCC15N 2011.56

13CH3CCCCH 1982.60
CHCCCCH 2025.34
CH3C13CCCH 2035.71 (b)
CH3CC13CCH 2018.90
CH3CCC13CH 1980.28

CH2DCCCCH (a) A = 120899.40
B = 1965.96
C = 1958.41

Notes. For all the 13C and 15N species the A value can be assumed for the corresponding parent species, CH3C3N or CH3C4H, 158 099.0 and 159 140.0 MHz, respectively.

(a)

A, B, and C constants are provided due to the Cs symmetry of this species.

(b)

For this isotopologue laboratory data are available (Cazzoli et al. 2008). The experimental rotational constant B is 2035.67752 MHz.

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