| SpectraBase Spectrum ID |
JEsNyiga4A4 |
| Name |
Methyl heptanoate |
| CAS Registry Number |
106-73-0 |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
144.115029753 u |
| Formula |
C8H16O2 |
| InChI |
InChI=1S/C8H16O2/c1-3-4-5-6-7-8(9)10-2/h3-7H2,1-2H3 |
| InChIKey |
XNCNNDVCAUWAIT-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
144.214 g/mol |
| Nominal Mass |
144 u |
| Quality |
990 |
| Retention Index |
990 |
| SMILES |
C(CCCCCC)(OC)=O |
| SPLASH |
splash10-00dl-9100000000-878fa171e8d9c1f980b1 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Heptanoic acid methyl ester |
| Technique |
GC/MS |
| Wiley ID |
DD2024_018192 |
