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2-(4'-Methylbiphenyl-4-ylsulfonyl)biphenyl

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

2-(4'-Methylbiphenyl-4-ylsulfonyl)biphenyl
SpectraBase Compound ID D0DVqaJOB9f
InChI InChI=1S/C25H20O2S/c1-19-11-13-20(14-12-19)21-15-17-23(18-16-21)28(26,27)25-10-6-5-9-24(25)22-7-3-2-4-8-22/h2-18H,1H3
InChIKey SNVSFJHDTSTGQT-UHFFFAOYSA-N
Mol Weight 384.49 g/mol
Molecular Formula C25H20O2S
Exact Mass 384.118401 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BdppHp3IgPS
Name 2-(4'-Methylbiphenyl-4-ylsulfonyl)biphenyl
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 384.118401056 u
Formula C25H20O2S
InChI InChI=1S/C25H20O2S/c1-19-11-13-20(14-12-19)21-15-17-23(18-16-21)28(26,27)25-10-6-5-9-24(25)22-7-3-2-4-8-22/h2-18H,1H3
InChIKey SNVSFJHDTSTGQT-UHFFFAOYSA-N
Molecular Weight 384.493 g/mol
SMILES C=1(C(=CC=CC1)S(C=1C=CC(=CC1)C=1C=CC(=CC1)C)(=O)=O)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.953281