| SpectraBase Spectrum ID |
8FR2NUeJvTk |
| Name |
alpha-Methyl-benzenepropanoic acid |
| CAS Registry Number |
1009-67-2 |
| 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 |
164.083729624 u |
| Formula |
C10H12O2 |
| InChI |
InChI=1S/C10H12O2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12) |
| InChIKey |
MCIIDRLDHRQKPH-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
164.204 g/mol |
| Nominal Mass |
164 u |
| Quality |
991 |
| Retention Index |
1191 |
| SMILES |
OC(C(CC=1C=CC=CC1)C)=O |
| SPLASH |
splash10-0006-9200000000-5c4ec58b0aa52603a9ca |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-methyl-3-phenylpropanoic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_005666 |
