| SpectraBase Spectrum ID |
JHCFQJh0Kgq |
| Name |
Caprylic acid methyl ester |
| CAS Registry Number |
111-11-5 |
| Classification |
Chemical |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
158.130679818 u |
| Formula |
C9H18O2 |
| InChI |
InChI=1S/C9H18O2/c1-3-4-5-6-7-8-9(10)11-2/h3-8H2,1-2H3 |
| InChIKey |
JGHZJRVDZXSNKQ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
158.241 g/mol |
| Nominal Mass |
158 u |
| Quality |
983 |
| Retention Index |
1090 |
| SMILES |
C(CCCCCCC)(OC)=O |
| SPLASH |
splash10-00di-9100000000-523f87a4d5c4c6026c92 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Methyl octanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_033246 |
