| SpectraBase Spectrum ID |
FRJdTPsztC9 |
| Name |
m-[3-(3,4-Dichlorophenyl)-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 |
353.999654206 u |
| Formula |
C15H12Cl2N2O2S |
| InChI |
InChI=1S/C15H12Cl2N2O2S/c1-21-14(20)9-3-2-4-10(7-9)18-15(22)19-11-5-6-12(16)13(17)8-11/h2-8H,1H3,(H2,18,19,22) |
| InChIKey |
BVXBJWVTOVRUOM-UHFFFAOYSA-N |
| Molecular Weight |
355.239 g/mol |
| SMILES |
N(C1=CC=C(C(=C1)Cl)Cl)C(NC=1C=CC=C(C(OC)=O)C1)=S |
| Spectrum/Structure Validation Score (Raman) |
0.963348 |
![m-[3-(3,4-Dichlorophenyl)-2-thioureido]benzoic acid, methyl ester](/api/spectrum/FRJdTPsztC9/structure.png?h=300&w=458 "m-[3-(3,4-Dichlorophenyl)-2-thioureido]benzoic acid, methyl ester")
