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4-(4-Chlorophenyl)-2-phenyl-2,3-dihydro-1,5-benzothiazepine

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

4-(4-Chlorophenyl)-2-phenyl-2,3-dihydro-1,5-benzothiazepine
SpectraBase Compound ID B4z2PIhFTY0
InChI InChI=1S/C21H16ClNS/c22-17-12-10-15(11-13-17)19-14-21(16-6-2-1-3-7-16)24-20-9-5-4-8-18(20)23-19/h1-13,21H,14H2
InChIKey HDHUSKBIQNFZAC-UHFFFAOYSA-N
Mol Weight 349.88 g/mol
Molecular Formula C21H16ClNS
Exact Mass 349.069198 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FuBlZgeyne0
Name 4-(4-Chlorophenyl)-2-phenyl-2,3-dihydro-1,5-benzothiazepine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 349.069198393 u
Formula C21H16ClNS
InChI InChI=1S/C21H16ClNS/c22-17-12-10-15(11-13-17)19-14-21(16-6-2-1-3-7-16)24-20-9-5-4-8-18(20)23-19/h1-13,21H,14H2
InChIKey HDHUSKBIQNFZAC-UHFFFAOYSA-N
Molecular Weight 349.879 g/mol
SMILES C1(=NC2=C(SC(C1)C=1C=CC=CC1)C=CC=C2)C1=CC=C(C=C1)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.906369