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bis(Tolylsulfonyl)methane

View entire compound with spectra: 2 NMR, 1 FTIR, 1 Raman, and 1 MS (GC)

bis(Tolylsulfonyl)methane
SpectraBase Compound ID EBXBmOoHsHd
InChI InChI=1S/C15H16O4S2/c1-12-3-7-14(8-4-12)20(16,17)11-21(18,19)15-9-5-13(2)6-10-15/h3-10H,11H2,1-2H3
InChIKey XLOXYWLRAKCDQL-UHFFFAOYSA-N
Mol Weight 324.41 g/mol
Molecular Formula C15H16O4S2
Exact Mass 324.049001 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID Bp6OL0X4QVg
Name bis(Tolylsulfonyl)methane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 324.049001339 u
Formula C15H16O4S2
InChI InChI=1S/C15H16O4S2/c1-12-3-7-14(8-4-12)20(16,17)11-21(18,19)15-9-5-13(2)6-10-15/h3-10H,11H2,1-2H3
InChIKey XLOXYWLRAKCDQL-UHFFFAOYSA-N
Molecular Weight 324.409 g/mol
SMILES C=1C(=CC=C(C1)C)S(=O)(=O)CS(=O)(=O)C=1C=CC(=CC1)C
Spectrum/Structure Validation Score (Raman) 0.775465