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5-(p-Tolyl)-4-phenyl-7-phenylimino-1,4-thiazepin-3-one

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

5-(p-Tolyl)-4-phenyl-7-phenylimino-1,4-thiazepin-3-one
SpectraBase Compound ID LpfpR2mxLCg
InChI InChI=1S/C24H20N2OS/c1-18-12-14-19(15-13-18)22-16-23(25-20-8-4-2-5-9-20)28-17-24(27)26(22)21-10-6-3-7-11-21/h2-16H,17H2,1H3/b25-23+
InChIKey QOPROXRCCUAYMQ-WJTDDFOZSA-N
Mol Weight 384.5 g/mol
Molecular Formula C24H20N2OS
Exact Mass 384.129634 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Ij8oTW3aTBi
Name 5-(p-Tolyl)-4-phenyl-7-phenylimino-1,4-thiazepin-3-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 384.129634445 u
Formula C24H20N2OS
InChI InChI=1S/C24H20N2OS/c1-18-12-14-19(15-13-18)22-16-23(25-20-8-4-2-5-9-20)28-17-24(27)26(22)21-10-6-3-7-11-21/h2-16H,17H2,1H3/b25-23+
InChIKey QOPROXRCCUAYMQ-WJTDDFOZSA-N
Molecular Weight 384.497 g/mol
SMILES C1S\C(C=C(N(C1=O)C=1C=CC=CC1)C=1C=CC(=CC1)C)=N/C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.949642