| SpectraBase Spectrum ID |
2nbTTNmiwRE |
| Name |
Methyl butyrate |
| CAS Registry Number |
623-42-7 |
| 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 |
102.068079560 u |
| Formula |
C5H10O2 |
| InChI |
InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3 |
| InChIKey |
UUIQMZJEGPQKFD-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
102.133 g/mol |
| Nominal Mass |
102 u |
| Quality |
810 |
| Retention Index |
690 |
| SMILES |
C(CCC)(OC)=O |
| SPLASH |
splash10-006x-9000000000-e71944fad19d96b7fc12 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Butyric acid methyl ester
Methyl-n-butyrate
Methyl butanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_022254 |
