| SpectraBase Spectrum ID |
DmQ9OT4G5Ls |
| Name |
Propionic acid |
| CAS Registry Number |
79-09-4 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
74.036779431 u |
| Formula |
C3H6O2 |
| InChI |
InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5) |
| InChIKey |
XBDQKXXYIPTUBI-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
74.079 g/mol |
| Nominal Mass |
74 u |
| Quality |
970 |
| Retention Index |
489 |
| SMILES |
OC(CC)=O |
| SPLASH |
splash10-00di-9000000000-fc2a8cfa45998e984fbf |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Carboxyethane
Propanoic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_011636 |
