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Phosphonic acid, [1-bromo-2-[(4-methylphenyl)thio]ethenyl]-, diethyl ester, (Z)-
SpectraBase Compound ID 282Galq1dII
InChI InChI=1S/C13H18BrO3PS/c1-4-16-18(15,17-5-2)13(14)10-19-12-8-6-11(3)7-9-12/h6-10H,4-5H2,1-3H3/b13-10+
InChIKey CNNWAEOIIVJIKY-JLHYYAGUSA-N
Mol Weight 365.22 g/mol
Molecular Formula C13H18BrO3PS
Exact Mass 363.989766 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GUzKtIMK8fT
Name Phosphonic acid, [1-bromo-2-[(4-methylphenyl)thio]ethenyl]-, diethyl ester, (Z)-
Alternate Name(s) Bromoethenylphosphonate Diethyl (Z)-1-bromo-2-[(4-methylphenyl)sulfanyl]ethenylphosphonate
CAS Registry Number 114070-89-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18BrO3PS
InChI InChI=1S/C13H18BrO3PS/c1-4-16-18(15,17-5-2)13(14)10-19-12-8-6-11(3)7-9-12/h6-10H,4-5H2,1-3H3/b13-10+
InChIKey CNNWAEOIIVJIKY-JLHYYAGUSA-N
Molecular Weight 365.222 g/mol
SMILES c1(S\C=C\(P(=O)(OCC)OCC)Br)ccc(cc1)C
SPLASH splash10-002r-0091000000-a505e3382db9054fd0f9
Source of Spectrum KC-1987-1278-15
Wiley ID 1350487