For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

2-Methyl-3-(4-methylphenyl)sulfonyl-4-oxidanylidene-4-phenyl-butanoic acid

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

2-Methyl-3-(4-methylphenyl)sulfonyl-4-oxidanylidene-4-phenyl-butanoic acid
SpectraBase Compound ID 1nRuFb3gEzG
InChI InChI=1S/C18H18O5S/c1-12-8-10-15(11-9-12)24(22,23)17(13(2)18(20)21)16(19)14-6-4-3-5-7-14/h3-11,13,17H,1-2H3,(H,20,21)
InChIKey HWAUSPMZYGZWSX-UHFFFAOYSA-N
Mol Weight 346.4 g/mol
Molecular Formula C18H18O5S
Exact Mass 346.087495 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID J9XttyvY9PD
Name 2-Methyl-3-(4-methylphenyl)sulfonyl-4-oxidanylidene-4-phenyl-butanoic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 346.087494849 u
Formula C18H18O5S
InChI InChI=1S/C18H18O5S/c1-12-8-10-15(11-9-12)24(22,23)17(13(2)18(20)21)16(19)14-6-4-3-5-7-14/h3-11,13,17H,1-2H3,(H,20,21)
InChIKey HWAUSPMZYGZWSX-UHFFFAOYSA-N
Molecular Weight 346.397 g/mol
SMILES C(S(C=1C=CC(=CC1)C)(=O)=O)(C(C(=O)O)C)C(=O)C=1C=CC=CC1