SpectraBase Spectrum ID |
DmhWXuKzSKW |
Name |
Caprylic acid methyl ester |
CAS Registry Number |
111-11-5 |
Classification |
Chemical |
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 |
988 |
Retention Index |
1090 |
SMILES |
C(CCCCCCC)(OC)=O |
SPLASH |
splash10-00di-9100000000-067e3cbff33e2b228961 |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
Methyl octanoate |
Technique |
GC/MS |
Wiley ID |
DD2024_033476 |