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4-Tolylthio-ethynyl-phosphonic acid, diethyl ester
SpectraBase Compound ID 9VpsAzh4ApE
InChI InChI=1S/C13H17O3PS/c1-4-15-17(14,16-5-2)10-11-18-13-8-6-12(3)7-9-13/h6-9H,4-5H2,1-3H3
InChIKey IEUIFFJAUXTHLK-UHFFFAOYSA-N
Mol Weight 284.31 g/mol
Molecular Formula C13H17O3PS
Exact Mass 284.063603 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1iELbDNawYd
Name Phosphonic acid, [[(4-methylphenyl)thio]ethynyl]-, diethyl ester
Alternate Name(s) Diethyl p-tolylthioethynylphosphonate Diethyl[(4-methylphenyl)sulfanyl]ethynylphosphonate
CAS Registry Number 114070-88-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17O3PS
InChI InChI=1S/C13H17O3PS/c1-4-15-17(14,16-5-2)10-11-18-13-8-6-12(3)7-9-13/h6-9H,4-5H2,1-3H3
InChIKey IEUIFFJAUXTHLK-UHFFFAOYSA-N
Molecular Weight 284.310 g/mol
SMILES C(P(=O)(OCC)OCC)#CSc1ccc(cc1)C
SPLASH splash10-0002-0910000000-f163da7d05aa2c07d4a2
Source of Spectrum KC-1987-1278-10
Wiley ID 1287532