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

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

2-(4-Fluorophenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine
SpectraBase Compound ID CflmUmAMBQ3
InChI InChI=1S/C21H16FNS/c22-17-12-10-16(11-13-17)21-14-19(15-6-2-1-3-7-15)23-18-8-4-5-9-20(18)24-21/h1-13,21H,14H2
InChIKey PUWCSGVVXVNRMY-UHFFFAOYSA-N
Mol Weight 333.42 g/mol
Molecular Formula C21H16FNS
Exact Mass 333.098749 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Awp8uAyVIWr
Name 2-(4-Fluorophenyl)-4-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 333.098748856 u
Formula C21H16FNS
InChI InChI=1S/C21H16FNS/c22-17-12-10-16(11-13-17)21-14-19(15-6-2-1-3-7-15)23-18-8-4-5-9-20(18)24-21/h1-13,21H,14H2
InChIKey PUWCSGVVXVNRMY-UHFFFAOYSA-N
Molecular Weight 333.424 g/mol
SMILES C1=2N=C(CC(SC2C=CC=C1)C1=CC=C(C=C1)F)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.939385