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Trans-3,3-dimethyl-1-butenyl phenyl sulfone

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

Trans-3,3-dimethyl-1-butenyl phenyl sulfone
SpectraBase Compound ID BkTXKNoM4Y8
InChI InChI=1S/C12H16O2S/c1-12(2,3)9-10-15(13,14)11-7-5-4-6-8-11/h4-10H,1-3H3/b10-9+
InChIKey SCSUSRUDJMFYOJ-MDZDMXLPSA-N
Mol Weight 224.32 g/mol
Molecular Formula C12H16O2S
Exact Mass 224.087101 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID F9BoryJq0dN
Name Trans-3,3-dimethyl-1-butenyl phenyl sulfone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 224.087100927 u
Formula C12H16O2S
InChI InChI=1S/C12H16O2S/c1-12(2,3)9-10-15(13,14)11-7-5-4-6-8-11/h4-10H,1-3H3/b10-9+
InChIKey SCSUSRUDJMFYOJ-MDZDMXLPSA-N
Molecular Weight 224.318 g/mol
SMILES C1=CC=CC(=C1)S(=O)(=O)\C=C\C(C)(C)C
Spectrum/Structure Validation Score (Raman) 0.895207