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3,5-Bis(methyl)-2-methylthio-1-(methoxyphenyl)phenyl

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

3,5-Bis(methyl)-2-methylthio-1-(methoxyphenyl)phenyl
SpectraBase Compound ID 5t1icrtSxbr
InChI InChI=1S/C16H18OS/c1-11-9-12(2)16(18-4)15(10-11)13-5-7-14(17-3)8-6-13/h5-10H,1-4H3
InChIKey IDSCKJJAKYWVEC-UHFFFAOYSA-N
Mol Weight 258.38 g/mol
Molecular Formula C16H18OS
Exact Mass 258.107836 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 70jJTfUfi81
Name 3,5-bis(Methyl)-2-methylthio-1-(methoxyphenyl)phenyl
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 258.107836373 u
Formula C16H18OS
InChI InChI=1S/C16H18OS/c1-11-9-12(2)16(18-4)15(10-11)13-5-7-14(17-3)8-6-13/h5-10H,1-4H3
InChIKey IDSCKJJAKYWVEC-UHFFFAOYSA-N
Molecular Weight 258.379 g/mol
SMILES C=1(C(=C(C)C=C(C1)C)SC)C=1C=CC(=CC1)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.910563