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2,4-Diphenyl-2,3-dihydro-1,5-benzothiazepine

View entire compound with spectra: 2 NMR, 1 FTIR, and 3 MS (GC)

2,4-Diphenyl-2,3-dihydro-1,5-benzothiazepine
SpectraBase Compound ID 6CT9NptNXWS
InChI InChI=1S/C21H17NS/c1-3-9-16(10-4-1)19-15-21(17-11-5-2-6-12-17)23-20-14-8-7-13-18(20)22-19/h1-14,21H,15H2
InChIKey MPAHDNFCERDKSX-UHFFFAOYSA-N
Mol Weight 315.43 g/mol
Molecular Formula C21H17NS
Exact Mass 315.108171 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Edmcx8HS8Zf
Name 2,4-Diphenyl-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 315.108170725 u
Formula C21H17NS
InChI InChI=1S/C21H17NS/c1-3-9-16(10-4-1)19-15-21(17-11-5-2-6-12-17)23-20-14-8-7-13-18(20)22-19/h1-14,21H,15H2
InChIKey MPAHDNFCERDKSX-UHFFFAOYSA-N
SMILES C1=CC=C2C(=C1)N=C(CC(S2)C1=CC=CC=C1)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.949813