| SpectraBase Spectrum ID |
90aNNlhwv0q |
| Name |
Methyl octanoate |
| CAS Registry Number |
111-11-5 |
| 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 |
158.130679818 u |
| Formula |
C9H18O2 |
| 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/C9H18O2/c1-3-4-5-6-7-8-9(10)11-2/h3-8H2,1-2H3 |
| InChIKey |
JGHZJRVDZXSNKQ-UHFFFAOYSA-N |
| Molecular Weight |
158.241 g/mol |
| Nominal Mass |
158 u |
| Number of Peaks |
96 |
| SMILES |
COC(CCCCCCC)=O |
| SPLASH |
splash10-05fu-9000000000-5a9b50c321550f9ad1b8 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001894 |
