| SpectraBase Spectrum ID |
2lvYEGdNGts |
| Name |
Benzenepropanoic acid |
| CAS Registry Number |
501-52-0 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one 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 |
150.068079560 u |
| Formula |
C9H10O2 |
| InChI |
InChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11) |
| InChIKey |
XMIIGOLPHOKFCH-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
150.177 g/mol |
| Nominal Mass |
150 u |
| Quality |
963 |
| Retention Index |
1091 |
| SMILES |
OC(CCC1=CC=CC=C1)=O |
| SPLASH |
splash10-0udl-9400000000-401344e149159fc01978 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Phenylpropionic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_032062 |
