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

*Links on SpectraBase are not permalinks.
4-Tolylsulfonyl-ethynyl-phosphonic acid, diethyl ester
SpectraBase Compound ID 3qkANFdJ8wY
InChI InChI=1S/C13H17O5PS/c1-4-17-19(14,18-5-2)10-11-20(15,16)13-8-6-12(3)7-9-13/h6-9H,4-5H2,1-3H3
InChIKey JTWSIDVVWBIXRI-UHFFFAOYSA-N
Mol Weight 316.31 g/mol
Molecular Formula C13H17O5PS
Exact Mass 316.053432 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID DUDqTecfrJN
Name Phosphonic acid, [[(4-methylphenyl)sulfonyl]ethynyl]-, diethyl ester
CAS Registry Number 114070-91-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17O5PS
InChI InChI=1S/C13H17O5PS/c1-4-17-19(14,18-5-2)10-11-20(15,16)13-8-6-12(3)7-9-13/h6-9H,4-5H2,1-3H3
InChIKey JTWSIDVVWBIXRI-UHFFFAOYSA-N
Molecular Weight 316.308 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)#CP(=O)(OCC)OCC
SPLASH splash10-01ox-9084000000-ddacb08d2430b5e7fd85
Source of Spectrum KC-1987-1278-12
Synonyms Diethyl p-tolylsulphonylethynylphosphonate Diethyl[(4-methylphenyl)sulfonyl]ethynylphosphonate
Wiley ID 1316380