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Phosphonic acid, [2-chloro-2-[(4-methylphenyl)sulfonyl]ethenyl]-, diethyl ester, (E)-
SpectraBase Compound ID HOF52BflqbP
InChI InChI=1S/C13H18ClO5PS/c1-4-18-20(15,19-5-2)10-13(14)21(16,17)12-8-6-11(3)7-9-12/h6-10H,4-5H2,1-3H3/b13-10+
InChIKey IRGKLADOKSJPDS-JLHYYAGUSA-N
Mol Weight 352.77 g/mol
Molecular Formula C13H18ClO5PS
Exact Mass 352.03011 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7I7aQ700gjQ
Name Phosphonic acid, [2-chloro-2-[(4-methylphenyl)sulfonyl]ethenyl]-, diethyl ester, (E)-
Alternate Name(s) Diethyl (Z)-2-chloro-2-[(4-methylphenyl)sulfonyl]ethenylphosphonate Diethyl 2-chloro-2-p-tolylsulphonylvinylphosphonate
CAS Registry Number 114070-93-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18ClO5PS
InChI InChI=1S/C13H18ClO5PS/c1-4-18-20(15,19-5-2)10-13(14)21(16,17)12-8-6-11(3)7-9-12/h6-10H,4-5H2,1-3H3/b13-10+
InChIKey IRGKLADOKSJPDS-JLHYYAGUSA-N
Molecular Weight 352.769 g/mol
SMILES c1(S(\C(=C\P(=O)(OCC)OCC)Cl)(=O)=O)ccc(cc1)C
SPLASH splash10-0006-1901000000-0b22afa87945a3b19128
Source of Spectrum KC-1987-1278-22
Wiley ID 1342891