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1-Chloranyl-4-(1,5-diphenylpentan-3-ylsulfanyl)benzene

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

1-Chloranyl-4-(1,5-diphenylpentan-3-ylsulfanyl)benzene
SpectraBase Compound ID L9wEnMPbMXZ
InChI InChI=1S/C23H23ClS/c24-21-13-17-23(18-14-21)25-22(15-11-19-7-3-1-4-8-19)16-12-20-9-5-2-6-10-20/h1-10,13-14,17-18,22H,11-12,15-16H2
InChIKey AIMIIPXKZISXLZ-UHFFFAOYSA-N
Mol Weight 366.95 g/mol
Molecular Formula C23H23ClS
Exact Mass 366.1209 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BArpiSkB9tJ
Name 1-Chloranyl-4-(1,5-diphenylpentan-3-ylsulfanyl)benzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 366.120899615 u
Formula C23H23ClS
InChI InChI=1S/C23H23ClS/c24-21-13-17-23(18-14-21)25-22(15-11-19-7-3-1-4-8-19)16-12-20-9-5-2-6-10-20/h1-10,13-14,17-18,22H,11-12,15-16H2
InChIKey AIMIIPXKZISXLZ-UHFFFAOYSA-N
Molecular Weight 366.950 g/mol
SMILES C(CC(CCC=1C=CC=CC1)SC=1C=CC(=CC1)Cl)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.885619