| SpectraBase Spectrum ID |
2F4vInoHgWJ |
| Name |
Octenol butanoate<2E-> |
| CAS Registry Number |
84642-60-4 |
| Copyright |
Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
198.161979946 u |
| Formula |
C12H22O2 |
| 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/C12H22O2/c1-3-5-6-7-8-9-11-14-12(13)10-4-2/h8-9H,3-7,10-11H2,1-2H3/b9-8+ |
| InChIKey |
GPINUUWEKPNDBB-CMDGGOBGSA-N |
| Molecular Weight |
198.306 g/mol |
| Nominal Mass |
198 u |
| Number of Peaks |
76 |
| SMILES |
C(CCC\C=C\COC(CCC)=O)C |
| SPLASH |
splash10-00dl-9000000000-0de1f1a4f0b9c947aa54 |
| Source |
ex BEDOUKIAN RES. |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001059 |
