| SpectraBase Spectrum ID |
534N9np7rv2 |
| Name |
m-[3-(p-Chlorobenzoyl)-2-thioureido]benzoic acid, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
348.033541158 u |
| Formula |
C16H13ClN2O3S |
| InChI |
InChI=1S/C16H13ClN2O3S/c1-22-15(21)11-3-2-4-13(9-11)18-16(23)19-14(20)10-5-7-12(17)8-6-10/h2-9H,1H3,(H2,18,19,20,23) |
| InChIKey |
XNCHNCOUSDJKGP-UHFFFAOYSA-N |
| Molecular Weight |
348.804 g/mol |
| SMILES |
N(C(C1=CC=C(C=C1)Cl)=O)C(NC=1C=C(C(OC)=O)C=CC1)=S |
| Spectrum/Structure Validation Score (Raman) |
0.885236 |
![m-[3-(p-Chlorobenzoyl)-2-thioureido]benzoic acid, methyl ester](/api/spectrum/534N9np7rv2/structure.png?h=300&w=458 "m-[3-(p-Chlorobenzoyl)-2-thioureido]benzoic acid, methyl ester")
