| SpectraBase Spectrum ID |
6PHwOin5Jy0 |
| Name |
Hexenyl benzoate<2E-> |
| CAS Registry Number |
76841-70-8 |
| 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 |
204.115029753 u |
| Formula |
C13H16O2 |
| 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/C13H16O2/c1-2-3-4-8-11-15-13(14)12-9-6-5-7-10-12/h4-10H,2-3,11H2,1H3/b8-4+ |
| InChIKey |
IRWNFSMZBFIURE-XBXARRHUSA-N |
| Molecular Weight |
204.269 g/mol |
| Nominal Mass |
204 u |
| Number of Peaks |
120 |
| SMILES |
CCC\C=C\COC(=O)c1ccccc1 |
| SPLASH |
splash10-0a4i-9800000000-fe347408fa27c6302454 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000662 |
