(CH3)213CHCN
iso-Propyl cyanide, iso-butyronitrile, 13C on C2
Species tag 070509
Version2*
Date of EntryJuly 2018
ContributorH. S. P. Müller

The first entry from Feb. 2017 was revised. The experimental data have been taken from
(1) L. Kolesniková, E. R. Alonso, S. Mata, J. Cernicharo, and J. L. Alonso, 2017, Astrophys. J. Suppl. Ser. 233 Art. No. 24..
Additional data were taken from
(2) B. E. Arenas, S. Gruet, A. L. Steber, B. M. Giuliano, and M. Schnell, 2017, Phys. Chem. Chem. Phys., 19 1751.
Initial parameters were taken from
(3) H. S. P. Müller, A. Coutens, A. Walters, J.-U. Grabow, and S. Schlemmer, 2011, J. Mol. Spectrosc., 267 100;
in particular, higher order parameters were kept from that work. Most of the uncertainties in (1) were deemed to be slightly conservative.
14N hyperfine splitting may be resolvable for some transitions at MW frequencies, but is unlikely to be resolved in astronomical observations. The HFS pattern is expected to be very close to that of the main species, see e069506.cat.
Predictions should be sufficient for secure identification in the ISM up to around 300 GHz. They have been truncated at J = 60. Predictions with higher J or higher Ka as well as those with calculated uncertainties exceeding 0.2 MHz should be viewed with caution.
The dipole moment components were assumed to agree with those of the main species, see e069506.cat.

Lines Listed11464
Frequency / GHz< 400
Max. J60
log STR0-7.3
log STR1-6.0
Isotope Corr.-1.972
Egy / (cm–1)0.0
 µa / D4.022
 µb / D0.619
 µc / D 
 A7921.8
 B3956.55
 C2897.62
 Q(300.0)92170.6127
 Q(225.0)59831.1795
 Q(150.0)32550.3242
 Q(75.00)11504.3725
 Q(37.50)4068.5866
 Q(18.75)1439.9940
 Q(9.375)510.3242
detected in ISM/CSMno


Database maintained by Holger S. P. Müller and Sven Thorwirth, programming by D. Roth and F. Schlöder