SpectraBase Spectrum ID |
CnEADu2PI5v |
Name |
Heptenal<2E-> |
CAS Registry Number |
18829-55-5 |
Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
Exact Mass |
112.088815005 u |
Formula |
C7H12O |
GC Column |
J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm film thickness) |
GC Oven Program |
60 °C to 246 °C at 3 °C/min. |
InChI |
InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h5-7H,2-4H2,1H3/b6-5+ |
InChIKey |
NDFKTBCGKNOHPJ-AATRIKPKSA-N |
Molecular Weight |
112.172 g/mol |
Nominal Mass |
112 u |
Number of Peaks |
54 |
SMILES |
C(\C=C\C=O)CCC |
SPLASH |
splash10-0a4l-9000000000-730682d94da25630179b |
Source |
ex BEDOUKIAN CHEM ex JJ BROPHY |
Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
Wiley ID |
RA001688 |