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4-Methyl-4'-nitro-diphenylsulfide

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 Raman

4-Methyl-4'-nitro-diphenylsulfide
SpectraBase Compound ID GOSOzHeAQR0
InChI InChI=1S/C13H11NO2S/c1-10-2-6-12(7-3-10)17-13-8-4-11(5-9-13)14(15)16/h2-9H,1H3
InChIKey DLQBSTSAXPLSIP-UHFFFAOYSA-N
Mol Weight 245.3 g/mol
Molecular Formula C13H11NO2S
Exact Mass 245.05105 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 4X9RWJuFDI4
Name 4-Methyl-4'-nitrodiphenyl sulfide; benzene, 1-methyl-4-[(4-nitrophenyl)thio]-; sulfide, p-nitrophenyl p-tolyl
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 245.051049770 u
Formula C13H11NO2S
InChI InChI=1S/C13H11NO2S/c1-10-2-6-12(7-3-10)17-13-8-4-11(5-9-13)14(15)16/h2-9H,1H3
InChIKey DLQBSTSAXPLSIP-UHFFFAOYSA-N
Molecular Weight 245.296 g/mol
SMILES C1(=CC=C(C=C1)C)SC1=CC=C(C=C1)[N+]([O-])=O
Spectrum/Structure Validation Score (Raman) 0.869955