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Phosphonic acid, [4-methyl-2-[[(4-methylphenyl)sulfonyl]oxy]-3-oxo-1-pentenyl]-, diethyl ester, (Z)-
SpectraBase Compound ID L2CMoPgMV7i
InChI InChI=1S/C17H25O7PS/c1-6-22-25(19,23-7-2)12-16(17(18)13(3)4)24-26(20,21)15-10-8-14(5)9-11-15/h8-13H,6-7H2,1-5H3/b16-12-
InChIKey KOFXCOHPCMLWJR-VBKFSLOCSA-N
Mol Weight 404.41 g/mol
Molecular Formula C17H25O7PS
Exact Mass 404.105861 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ewey8RvAUNU
Name Phosphonic acid, [4-methyl-2-[[(4-methylphenyl)sulfonyl]oxy]-3-oxo-1-pentenyl]-, diethyl ester, (Z)-
CAS Registry Number 101133-02-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H25O7PS
InChI InChI=1S/C17H25O7PS/c1-6-22-25(19,23-7-2)12-16(17(18)13(3)4)24-26(20,21)15-10-8-14(5)9-11-15/h8-13H,6-7H2,1-5H3/b16-12-
InChIKey KOFXCOHPCMLWJR-VBKFSLOCSA-N
Molecular Weight 404.414 g/mol
SMILES C(OP(\C=C\(OS(c1ccc(cc1)C)(=O)=O)C(=O)C(C)C)(=O)OCC)C
SPLASH splash10-052f-9703000000-68c866b54d838fc18131
Source of Spectrum K-118-4137-3
Synonyms (Z)-2-(diethoxyphosphoryl)-1-isobutyrylethenyl 4-methylbenzenesulfonate (Z)-[4-methyl-2-(4-methylphenylsulfonyloxy)-3-oxo-1-pentenyl]phosphonoic acid diethylester
Wiley ID 1371071