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Phosphonic acid, [4-methyl-2-[[(4-methylphenyl)sulfonyl]oxy]-3-oxopentyl]-, bis(1-methylethyl) ester
SpectraBase Compound ID 55qk8ACZe8f
InChI InChI=1S/C19H31O7PS/c1-13(2)19(20)18(12-27(21,24-14(3)4)25-15(5)6)26-28(22,23)17-10-8-16(7)9-11-17/h8-11,13-15,18H,12H2,1-7H3
InChIKey RUKVZLFSYGYEFW-UHFFFAOYSA-N
Mol Weight 434.48 g/mol
Molecular Formula C19H31O7PS
Exact Mass 434.152812 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JNOMuRaJkmX
Name Phosphonic acid, [4-methyl-2-[[(4-methylphenyl)sulfonyl]oxy]-3-oxopentyl]-, bis(1-methylethyl) ester
CAS Registry Number 101133-04-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H31O7PS
InChI InChI=1S/C19H31O7PS/c1-13(2)19(20)18(12-27(21,24-14(3)4)25-15(5)6)26-28(22,23)17-10-8-16(7)9-11-17/h8-11,13-15,18H,12H2,1-7H3
InChIKey RUKVZLFSYGYEFW-UHFFFAOYSA-N
Molecular Weight 434.484 g/mol
SMILES C(OS(c1ccc(cc1)C)(=O)=O)(CP(=O)(OC(C)C)OC(C)C)C(=O)C(C)C
SPLASH splash10-004i-0920000000-1a52a8492a22d28a41cf
Source of Spectrum K-118-4138-4
Synonyms 1-[(diisopropoxyphosphoryl)methyl]-3-methyl-2-oxobutyl 4-methylbenzenesulfonate [4-methyl-2-(4-methylphenylsulfonyloxy)-3-oxopentyl]phosphonsaure-diisopropylester
Wiley ID 1382846