| SpectraBase Spectrum ID |
4uMb6zXfrat |
| Name |
m-(2-Thio-m-tolylureido)benzoic acid, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
300.093248935 u |
| Formula |
C16H16N2O2S |
| InChI |
InChI=1S/C16H16N2O2S/c1-11-5-3-7-13(9-11)17-16(21)18-14-8-4-6-12(10-14)15(19)20-2/h3-10H,1-2H3,(H2,17,18,21) |
| InChIKey |
NMRNOQLZEHRKMD-UHFFFAOYSA-N |
| Molecular Weight |
300.376 g/mol |
| SMILES |
N(C1=CC=CC(=C1)C)C(NC=1C=CC=C(C(OC)=O)C1)=S |
| Spectrum/Structure Validation Score (Raman) |
0.979119 |
