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4-Tolylsulfinyl-ethynyl-phosphonic acid, diethyl ester
SpectraBase Compound ID 1qe01k9HHPt
InChI InChI=1S/C13H17O4PS/c1-4-16-18(14,17-5-2)10-11-19(15)13-8-6-12(3)7-9-13/h6-9H,4-5H2,1-3H3
InChIKey QDROTLOHFHWDLP-UHFFFAOYSA-N
Mol Weight 300.31 g/mol
Molecular Formula C13H17O4PS
Exact Mass 300.058517 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IpCtRr8owIQ
Name Phosphonic acid, [[(4-methylphenyl)sulfinyl]ethynyl]-, diethyl ester
Alternate Name(s) Diethyl p-tolylsulphinylethynylphosphonate Diethyl[(4-methylphenyl)sulfinyl]ethynylphosphonate
CAS Registry Number 114070-90-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17O4PS
InChI InChI=1S/C13H17O4PS/c1-4-16-18(14,17-5-2)10-11-19(15)13-8-6-12(3)7-9-13/h6-9H,4-5H2,1-3H3
InChIKey QDROTLOHFHWDLP-UHFFFAOYSA-N
Molecular Weight 300.309 g/mol
SMILES C(#CS(c1ccc(cc1)C)=O)P(=O)(OCC)OCC
SPLASH splash10-00r2-1910000000-ec1eb1491df081261712
Source of Spectrum KC-1987-1278-11
Wiley ID 1302462