| SpectraBase Spectrum ID |
JGL4OuzL2eW |
| Name |
Heptanoic acid ethyl ester |
| CAS Registry Number |
106-30-9 |
| Classification |
Chemical |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
158.130679818 u |
| Formula |
C9H18O2 |
| InChI |
InChI=1S/C9H18O2/c1-3-5-6-7-8-9(10)11-4-2/h3-8H2,1-2H3 |
| InChIKey |
TVQGDYNRXLTQAP-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
158.241 g/mol |
| Nominal Mass |
158 u |
| Quality |
995 |
| Retention Index |
1081 |
| SMILES |
C(CCCCCC)(OCC)=O |
| SPLASH |
splash10-01rl-9100000000-b707d3be311a39dbd4d1 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
ethyl heptanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_023445 |
