| SpectraBase Spectrum ID |
8wgkLGAzXAX |
| Name |
N-(4-Chlorophenyl)benzenecarboximidothioic acid, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
261.037898264 u |
| Formula |
C14H12ClNS |
| InChI |
InChI=1S/C14H12ClNS/c1-17-14(11-5-3-2-4-6-11)16-13-9-7-12(15)8-10-13/h2-10H,1H3/b16-14- |
| InChIKey |
YWQCZBXDBWNSMY-PEZBUJJGSA-N |
| SMILES |
C1(\N=C\(SC)C2=CC=CC=C2)=CC=C(C=C1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.871816 |
