| SpectraBase Spectrum ID |
CXXtGouliRk |
| Name |
Methyl propionate |
| CAS Registry Number |
554-12-1 |
| Classification |
Fragrance precursor |
| 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 |
88.052429496 u |
| Formula |
C4H8O2 |
| InChI |
InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3 |
| InChIKey |
RJUFJBKOKNCXHH-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
88.106 g/mol |
| Nominal Mass |
88 u |
| Quality |
864 |
| Retention Index |
590 |
| SMILES |
C(OC)(CC)=O |
| SPLASH |
splash10-0a4i-9000000000-cb63c23e80dd77e1aeaf |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Methyl propylate
Propionic methyl ester
Methyl propanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_011624 |
