For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

S-Phenyl 2-amino-4-chlorobenzothioate

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

S-Phenyl 2-amino-4-chlorobenzothioate
SpectraBase Compound ID 3R6lUGYDB1K
InChI InChI=1S/C13H10ClNOS/c14-9-6-7-11(12(15)8-9)13(16)17-10-4-2-1-3-5-10/h1-8H,15H2
InChIKey GMRYNWWMKBUXFS-UHFFFAOYSA-N
Mol Weight 263.74 g/mol
Molecular Formula C13H10ClNOS
Exact Mass 263.017163 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 7sXOtSE8sbL
Name S-Phenyl 2-amino-4-chlorobenzothioate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 263.017162819 u
Formula C13H10ClNOS
InChI InChI=1S/C13H10ClNOS/c14-9-6-7-11(12(15)8-9)13(16)17-10-4-2-1-3-5-10/h1-8H,15H2
InChIKey GMRYNWWMKBUXFS-UHFFFAOYSA-N
Molecular Weight 263.742 g/mol
SMILES C1(C(SC2=CC=CC=C2)=O)=C(C=C(C=C1)Cl)N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.933657