| SpectraBase Spectrum ID |
9WQ4gq9h0jC |
| Name |
p-(3-Benzyl-2-thioureido)hippuric acid, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
371.130362719 u |
| Formula |
C19H21N3O3S |
| InChI |
InChI=1S/C19H21N3O3S/c1-2-25-17(23)13-20-18(24)15-8-10-16(11-9-15)22-19(26)21-12-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H,20,24)(H2,21,22,26) |
| InChIKey |
VOJSTYHRLMWBDS-UHFFFAOYSA-N |
| Molecular Weight |
371.455 g/mol |
| SMILES |
N(CC1=CC=CC=C1)C(NC=1C=CC(C(NCC(OCC)=O)=O)=CC1)=S |
| Spectrum/Structure Validation Score (Raman) |
0.7565 |
