| SpectraBase Spectrum ID |
JElwxoKJgsS |
| Name |
Methyl hexanoate |
| CAS Registry Number |
106-70-7 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (three reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
130.099379689 u |
| Formula |
C7H14O2 |
| InChI |
InChI=1S/C7H14O2/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3 |
| InChIKey |
NUKZAGXMHTUAFE-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
130.187 g/mol |
| Nominal Mass |
130 u |
| Quality |
816 |
| Retention Index |
890 |
| SMILES |
C(CCCCC)(OC)=O |
| SPLASH |
splash10-00dl-9000000000-ed6ddfb1243a7362519f |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Caproic acid methyl ester
Hexanoic methyl ester
Methyl caproate
Methyl hexoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_011623 |
