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3-(2-Chlorobenzoyl)-1,3-benzothiazol-2(3H)-one

View entire compound with spectra: 1 FTIR

3-(2-Chlorobenzoyl)-1,3-benzothiazol-2(3H)-one
SpectraBase Compound ID 5sRLBK9PkSt
InChI InChI=1S/C14H8ClNO2S/c15-10-6-2-1-5-9(10)13(17)16-11-7-3-4-8-12(11)19-14(16)18/h1-8H
InChIKey BSWAASKSJSMWMO-UHFFFAOYSA-N
Mol Weight 289.74 g/mol
Molecular Formula C14H8ClNO2S
Exact Mass 288.996427 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7vQBMXVaJ93
Name 3-(2-Chlorobenzoyl)-1,3-benzothiazol-2(3H)-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 288.996427374 u
Formula C14H8ClNO2S
InChI InChI=1S/C14H8ClNO2S/c15-10-6-2-1-5-9(10)13(17)16-11-7-3-4-8-12(11)19-14(16)18/h1-8H
InChIKey BSWAASKSJSMWMO-UHFFFAOYSA-N
Molecular Weight 289.736 g/mol
SMILES C1=2N(C(SC1=CC=CC2)=O)C(=O)C1=CC=CC=C1Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.934588