| SpectraBase Spectrum ID |
JENyUfDLYjA |
| Name |
(2-Phenylethyl)-3-methyl-butanoate |
| CAS Registry Number |
140-26-1 |
| Classification |
Flavor, fragrance |
| Comments |
Spectrum verified by crosschecking against external libraries (four reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
206.130679818 u |
| Formula |
C13H18O2 |
| InChI |
InChI=1S/C13H18O2/c1-11(2)10-13(14)15-9-8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3 |
| InChIKey |
JIMGVOCOYZFDKB-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
206.285 g/mol |
| Nominal Mass |
206 u |
| Quality |
989 |
| Retention Index |
1491 |
| SMILES |
C=1(CCOC(CC(C)C)=O)C=CC=CC1 |
| SPLASH |
splash10-0udi-4900000000-a2da2a10c52f3e1a6047 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Phenethyl isovalerate
2-Phenylethyl 3-methylbutanoate
2-phenylethyl 3-methylbutanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_018553 |
