| SpectraBase Spectrum ID |
V5TZ8DeKG |
| Name |
Hexenyl propanoate<2E-> |
| CAS Registry Number |
53398-80-4 |
| 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 |
156.115029753 u |
| Formula |
C9H16O2 |
| 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/C9H16O2/c1-3-5-6-7-8-11-9(10)4-2/h6-7H,3-5,8H2,1-2H3/b7-6+ |
| InChIKey |
LPWKTEHEFDVAQS-VOTSOKGWSA-N |
| Molecular Weight |
156.225 g/mol |
| Nominal Mass |
156 u |
| Number of Peaks |
47 |
| SMILES |
C(OC(CC)=O)\C=C\CCC |
| SPLASH |
splash10-0a4i-9000000000-2a9cea9e30b1b214098e |
| Source |
ex BEDOUKAIN CHEM ex JJ BROPHY |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001737 |
