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N-(3-Chloro-2-fluorophenyl)-2-(4-oxo-3,4-dihydrobenzo[B][1,4]thiazepin-5(2H)-yl)acetamide

View entire compound with spectra: 1 FTIR

N-(3-Chloro-2-fluorophenyl)-2-(4-oxo-3,4-dihydrobenzo[B][1,4]thiazepin-5(2H)-yl)acetamide
SpectraBase Compound ID H8myuMz5ySQ
InChI InChI=1S/C17H14ClFN2O2S/c18-11-4-3-5-12(17(11)19)20-15(22)10-21-13-6-1-2-7-14(13)24-9-8-16(21)23/h1-7H,8-10H2,(H,20,22)
InChIKey GMCHOMIOFVCNFF-UHFFFAOYSA-N
Mol Weight 364.82 g/mol
Molecular Formula C17H14ClFN2O2S
Exact Mass 364.044855 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID G3wV2Y6UvRV
Name N-(3-Chloro-2-fluorophenyl)-2-(4-oxo-3,4-dihydrobenzo[B][1,4]thiazepin-5(2H)-yl)acetamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 364.044854734 u
Formula C17H14ClFN2O2S
InChI InChI=1S/C17H14ClFN2O2S/c18-11-4-3-5-12(17(11)19)20-15(22)10-21-13-6-1-2-7-14(13)24-9-8-16(21)23/h1-7H,8-10H2,(H,20,22)
InChIKey GMCHOMIOFVCNFF-UHFFFAOYSA-N
Molecular Weight 364.822 g/mol
SMILES C(CN1C(CCSC2=C1C=CC=C2)=O)(=O)NC1=C(C(=CC=C1)Cl)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.913403