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beta-Methylstyryl p-tolyl sulfone

View entire compound with spectra: 2 NMR, 1 FTIR, 1 Raman, and 1 UV-Vis

beta-Methylstyryl p-tolyl sulfone
SpectraBase Compound ID 5pob0nbjSh1
InChI InChI=1S/C16H16O2S/c1-13-8-10-16(11-9-13)19(17,18)14(2)12-15-6-4-3-5-7-15/h3-12H,1-2H3
InChIKey RRPFDZMTAFNANO-UHFFFAOYSA-N
Mol Weight 272.36 g/mol
Molecular Formula C16H16O2S
Exact Mass 272.087101 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID BnUZBmTef7y
Name beta-Methylstyryl p-tolyl sulfone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 272.087100927 u
Formula C16H16O2S
InChI InChI=1S/C16H16O2S/c1-13-8-10-16(11-9-13)19(17,18)14(2)12-15-6-4-3-5-7-15/h3-12H,1-2H3
InChIKey RRPFDZMTAFNANO-UHFFFAOYSA-N
Molecular Weight 272.362 g/mol
SMILES C=1C(=CC=C(C1)C)S(=O)(=O)C(=CC=1C=CC=CC1)C
Spectrum/Structure Validation Score (Raman) 0.759736