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bis[3,4-Dimethylbenzyl]sulfide

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

bis[3,4-Dimethylbenzyl]sulfide
SpectraBase Compound ID IxJD39ME43v
InChI InChI=1S/C18H22S/c1-13-5-7-17(9-15(13)3)11-19-12-18-8-6-14(2)16(4)10-18/h5-10H,11-12H2,1-4H3
InChIKey DXAQAFQXPGWFRX-UHFFFAOYSA-N
Mol Weight 270.43 g/mol
Molecular Formula C18H22S
Exact Mass 270.144222 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ESHVj3cPrMM
Name bis[3,4-Dimethylbenzyl]sulfide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 270.144221882 u
Formula C18H22S
InChI InChI=1S/C18H22S/c1-13-5-7-17(9-15(13)3)11-19-12-18-8-6-14(2)16(4)10-18/h5-10H,11-12H2,1-4H3
InChIKey DXAQAFQXPGWFRX-UHFFFAOYSA-N
Molecular Weight 270.434 g/mol
SMILES C1=C(C=CC(=C1C)C)CSCC1=CC(=C(C=C1)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.886184