| SpectraBase Spectrum ID |
JFVBvl9eOpM |
| Name |
Heptanoic acid |
| CAS Registry Number |
111-14-8 |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
130.099379689 u |
| Formula |
C7H14O2 |
| InChI |
InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9) |
| InChIKey |
MNWFXJYAOYHMED-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
130.187 g/mol |
| Nominal Mass |
130 u |
| Quality |
986 |
| Retention Index |
890 |
| SMILES |
OC(CCCCCC)=O |
| SPLASH |
splash10-03kc-9000000000-9493bed9e16caa7030d3 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
heptanoic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_033579 |
