| SpectraBase Spectrum ID |
5ZmlhFquAKW |
| Name |
Ethyl-3-methylbutanoate |
| 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 |
130.099379689 u |
| Formula |
C7H14O2 |
| InChI |
InChI=1S/C7H14O2/c1-4-9-7(8)5-6(2)3/h6H,4-5H2,1-3H3 |
| InChIKey |
PPXUHEORWJQRHJ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
130.187 g/mol |
| Nominal Mass |
130 u |
| Quality |
966 |
| Retention Index |
890 |
| SMILES |
C(CC(C)C)(OCC)=O |
| SPLASH |
splash10-052u-9000000000-659a7ce7c9c67e849bbd |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
ethyl 3-methylbutanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_005671 |
