| SpectraBase Spectrum ID |
JI5HediCINc |
| Name |
Hippuric acid methyl ester |
| CAS Registry Number |
1205-08-9 |
| Classification |
Pharmaceutical drug, antilipemic |
| 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 |
193.073893215 u |
| Formula |
C10H11NO3 |
| InChI |
InChI=1S/C10H11NO3/c1-14-9(12)7-11-10(13)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,11,13) |
| InChIKey |
XTKVNQKOTKPCKM-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
193.202 g/mol |
| Nominal Mass |
193 u |
| Quality |
927 |
| Retention Index |
1497 |
| SMILES |
C(C=1C=CC=CC1)(NCC(OC)=O)=O |
| SPLASH |
splash10-0a4i-4900000000-24f41b6b222c2568afac |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Benzoic acid-glycine conjugate ME
Methyl benzamidoacetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001614 |
