| SpectraBase Spectrum ID |
JGKbMfXEJsW |
| Name |
Phenylacetic acid |
| CAS Registry Number |
103-82-2 |
| Classification |
Disinfectant |
| Comments |
Spectrum verified by crosschecking against external libraries (five 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 |
136.052429496 u |
| Formula |
C8H8O2 |
| InChI |
InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10) |
| InChIKey |
WLJVXDMOQOGPHL-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
136.150 g/mol |
| Nominal Mass |
136 u |
| Quality |
970 |
| Retention Index |
1373 |
| SMILES |
OC(CC=1C=CC=CC1)=O |
| SPLASH |
splash10-0006-9200000000-669ca34c0344289ca239 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Benzenacetic acid
2-Phenylacetic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_003571 |
