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Phosphonic acid, [4-methyl-2-[[(4-methylphenyl)sulfonyl]oxy]-3-oxopentyl]-, diethyl ester
SpectraBase Compound ID 6dl5xMv7Imh
InChI InChI=1S/C17H27O7PS/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/h8-11,13,16H,6-7,12H2,1-5H3
InChIKey HEWOYCYFMPZOQO-UHFFFAOYSA-N
Mol Weight 406.43 g/mol
Molecular Formula C17H27O7PS
Exact Mass 406.121511 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D6UJY5UqwM0
Name Phosphonic acid, [4-methyl-2-[[(4-methylphenyl)sulfonyl]oxy]-3-oxopentyl]-, diethyl ester
CAS Registry Number 101133-05-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H27O7PS
InChI InChI=1S/C17H27O7PS/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/h8-11,13,16H,6-7,12H2,1-5H3
InChIKey HEWOYCYFMPZOQO-UHFFFAOYSA-N
Molecular Weight 406.430 g/mol
SMILES C(OS(c1ccc(cc1)C)(=O)=O)(CP(=O)(OCC)OCC)C(=O)C(C)C
SPLASH splash10-001i-0901000000-c69ad5b99d7734504a76
Source of Spectrum K-118-4138-4
Synonyms 1-[(diethoxyphosphoryl)methyl]-3-methyl-2-oxobutyl 4-methylbenzenesulfonate [4-methyl-2(4-methylphenylsulfonyloxy)-3-oxopentyl]phosphonoic acid diethylester
Wiley ID 1371963