| SpectraBase Spectrum ID |
CDnbbXyrBsC |
| Name |
Octen-3-ol butanoate<1-> |
| CAS Registry Number |
16491-54-6 |
| 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 |
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/c1-4-7-8-10-11(6-3)14-12(13)9-5-2/h6,11H,3-5,7-10H2,1-2H3 |
| InChIKey |
LZWFXVJBIZIHCH-UHFFFAOYSA-N |
| Molecular Weight |
198.306 g/mol |
| Nominal Mass |
198 u |
| Number of Peaks |
74 |
| SMILES |
C(OC(CCC)=O)(CCCCC)C=C |
| SPLASH |
splash10-00dl-9100000000-c853f3cb15761a81e0bc |
| Source |
ex BEDOUKIAN RES. |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001985 |
