| SpectraBase Spectrum ID |
2oOkMwwKvvE |
| Name |
Hexanoic acid |
| CAS Registry Number |
142-62-1 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one 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 |
116.083729624 u |
| Formula |
C6H12O2 |
| InChI |
InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8) |
| InChIKey |
FUZZWVXGSFPDMH-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
116.160 g/mol |
| Nominal Mass |
116 u |
| Quality |
987 |
| Retention Index |
990 |
| SMILES |
OC(CCCCC)=O |
| SPLASH |
splash10-03dl-9000000000-cc7fa38acac3f1943c22 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Caproic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_011617 |
