| SpectraBase Spectrum ID |
1VBHWifUcS |
| Name |
Heptenol acetate<3Z-> |
| CAS Registry Number |
1576-78-9 |
| 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/c1-3-4-5-6-7-8-11-9(2)10/h5-6H,3-4,7-8H2,1-2H3/b6-5- |
| InChIKey |
AAYIYWGTGAUKQY-WAYWQWQTSA-N |
| Molecular Weight |
156.225 g/mol |
| Nominal Mass |
156 u |
| Number of Peaks |
39 |
| SMILES |
C(=O)(C)OCC\C=C/CCC |
| SPLASH |
splash10-0f6x-9000000000-b1bce4343b025e435806 |
| Source |
ex BEDOUKIAN RES. |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000648 |
