C3H3CHO
2,3-Butadienal
Species tag 068516
Version1*
Date of EntryApr. 2026
ContributorH. S. P. Müller

The entry refers to the anti- (or E-) conformer, which is by far the lowest one. Millimeter and submillimeter transition frequencies were reported by
(1) L. Marguleès, Z. T. P. Fried, R. A. Motiyenko, B. A. McGuire, M. Sanz-Novo, V. M. Rivilla, I. Jiménez-Serra, and J.-C. Guillemin, 2026, J. Phys. Chem. A 130, 2893.
The entry should be sufficiently accurate for observational purposes. Transition frequencies with calculated uncertainties exceeding 100 kHz should be viewed with caution. The dipole moment components are from a quantum chemical calculation in (1). Please note that the weak b-type transitions are still quite uncertain.

Lines Listed7603
Frequency / GHz< 600
Max. J131
log STR0-11.0
log STR1-5.7
Isotope Corr. 
Egy / (cm–1)0.0
 µa / D3.79
 µb / D(0.37)
 µc / D 
 A / MHz34933.7
 B / MHz2407.194
 C / MHz2287.015
 Q(300.0)63575.2315
 Q(225.0)41227.7583
 Q(150.0)22407.5568
 Q(75.00)7911.7873
 Q(37.50)2796.4396
 Q(18.75)989.2754
 Q(9.375)350.3781
 Q(5.000)136.9248
 Q(2.725)55.4269
detected in ISM/CSMno


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