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2-chlorodibenzo[b,f][1,4]thiazepin-11(10H)-one

View entire compound with spectra: 1 FTIR, 1 Raman, and 1 UV-Vis

2-chlorodibenzo[b,f][1,4]thiazepin-11(10H)-one
SpectraBase Compound ID E0ga18blwp1
InChI InChI=1S/C13H8ClNOS/c14-8-5-6-11-9(7-8)13(16)15-10-3-1-2-4-12(10)17-11/h1-7H,(H,15,16)
InChIKey UHOLKGDSZJQEEB-UHFFFAOYSA-N
Mol Weight 261.73 g/mol
Molecular Formula C13H8ClNOS
Exact Mass 261.001513 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 15S6kkhEhI1
Name 2-Chlorodibenzo[B,F][1,4]thiazepin-11(10H)-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 261.001512755 u
Formula C13H8ClNOS
InChI InChI=1S/C13H8ClNOS/c14-8-5-6-11-9(7-8)13(16)15-10-3-1-2-4-12(10)17-11/h1-7H,(H,15,16)
InChIKey UHOLKGDSZJQEEB-UHFFFAOYSA-N
Molecular Weight 261.726 g/mol
SMILES N1C=2C=CC=CC2SC=2C=CC(=CC2C1=O)Cl
Spectrum/Structure Validation Score (Raman) 0.93126