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Butanesulfonic acid, 4-(diphenylphosphinyl)-, methyl ester

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

Butanesulfonic acid, 4-(diphenylphosphinyl)-, methyl ester
SpectraBase Compound ID 2LzzgkPW0cb
InChI InChI=1S/C17H21O4PS/c1-21-23(19,20)15-9-8-14-22(18,16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-7,10-13H,8-9,14-15H2,1H3
InChIKey XXDSKNHVHDCRJU-UHFFFAOYSA-N
Mol Weight 352.38 g/mol
Molecular Formula C17H21O4PS
Exact Mass 352.089817 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 25UaL0bY9so
Name Butanesulfonic acid, 4-(diphenylphosphinyl)-, methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 352.089817324 u
Formula C17H21O4PS
InChI InChI=1S/C17H21O4PS/c1-21-23(19,20)15-9-8-14-22(18,16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-7,10-13H,8-9,14-15H2,1H3
InChIKey XXDSKNHVHDCRJU-UHFFFAOYSA-N
Molecular Weight 352.385 g/mol
SMILES C1=CC(P(=O)(CCCCS(=O)(=O)OC)C2=CC=CC=C2)=CC=C1