| SpectraBase Spectrum ID |
69Ip5Tjs4Lz |
| Name |
Methylhydrocinnamate |
| CAS Registry Number |
103-25-3 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (three reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
164.083729624 u |
| Formula |
C10H12O2 |
| InChI |
InChI=1S/C10H12O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3 |
| InChIKey |
RPUSRLKKXPQSGP-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
164.204 g/mol |
| Nominal Mass |
164 u |
| Quality |
840 |
| Retention Index |
1191 |
| SMILES |
C1(CCC(OC)=O)=CC=CC=C1 |
| SPLASH |
splash10-0udl-7900000000-4256a4a7864f5fe801fa |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
methyl-3-phenyl propanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_002286 |
