Table 3
Assigned transitions for the AA conformer of n-butyl cyanide, observed transition frequency (MHz), experimental uncertainty Unc. (MHz), residual O−C between observed frequency and that calculated from the final set of spectroscopic parameters, and weight for blended lines.
J ′ |
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F ′ | J ′′ |
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F ′′ | Frequency | Unc. | O−C | Weight | |
|
||||||||||||
2 | 1 | 2 | 2 | 1 | 1 | 1 | 1 | 5125.020 | 0.002 | −0.00411 | ||
2 | 1 | 2 | 2 | 1 | 1 | 1 | 2 | 5125.222 | 0.002 | −0.00453 | ||
2 | 1 | 2 | 3 | 1 | 1 | 1 | 2 | 5125.885 | 0.002 | −0.00088 | ||
2 | 1 | 2 | 1 | 1 | 1 | 1 | 1 | 5126.047 | 0.002 | −0.00299 | ||
2 | 1 | 2 | 1 | 1 | 1 | 1 | 0 | 5126.554 | 0.002 | −0.00219 | ||
2 | 0 | 2 | 2 | 1 | 0 | 1 | 2 | 5194.834 | 0.002 | −0.00098 | ||
2 | 0 | 2 | 1 | 1 | 0 | 1 | 0 | 5194.972 | 0.002 | −0.00110 | ||
2 | 0 | 2 | 3 | 1 | 0 | 1 | 2 | 5195.712 | 0.002 | −0.00048 | ||
2 | 0 | 2 | 1 | 1 | 0 | 1 | 1 | 5197.016 | 0.002 | −0.00211 | ||
2 | 1 | 1 | 2 | 1 | 1 | 0 | 1 | 5265.520 | 0.002 | −0.00001 | ||
134 | 15 | 120 | 133 | 15 | 119 | 347 645.8987 | 0.150 | 0.22104 | 0.5000 | |||
134 | 15 | 119 | 133 | 15 | 118 | 347 645.8987 | 0.150 | 0.22104 | 0.5000 | |||
134 | 17 | 117 | 133 | 17 | 116 | 347 670.4872 | 0.150 | 0.21437 | 0.5000 | |||
134 | 17 | 118 | 133 | 17 | 117 | 347 670.4872 | 0.150 | 0.21437 | 0.5000 | |||
134 | 18 | 116 | 133 | 18 | 115 | 347 700.6380 | 0.080 | −0.04666 | 0.5000 | |||
134 | 18 | 117 | 133 | 18 | 116 | 347 700.6380 | 0.080 | −0.04666 | 0.5000 | |||
134 | 19 | 115 | 133 | 19 | 114 | 347 740.9042 | 0.080 | 0.03613 | 0.5000 | |||
134 | 19 | 116 | 133 | 19 | 115 | 347 740.9042 | 0.080 | 0.03613 | 0.5000 | |||
134 | 12 | 123 | 133 | 12 | 122 | 347 747.8174 | 0.080 | −0.00769 | 0.5000 | |||
134 | 12 | 122 | 133 | 12 | 121 | 347 747.8174 | 0.080 | −0.00769 | 0.5000 |
Notes. This table as well as those of other conformers are available in their entirety at the CDS. A portion is shown here for guidance regarding its form and content.
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