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Phosphonic acid, [2-[[(4-methylphenyl)sulfonyl]oxy]-3-oxobutyl]-, bis(1-methylethyl) ester
SpectraBase Compound ID HiDKZIc8c78
InChI InChI=1S/C17H27O7PS/c1-12(2)22-25(19,23-13(3)4)11-17(15(6)18)24-26(20,21)16-9-7-14(5)8-10-16/h7-10,12-13,17H,11H2,1-6H3
InChIKey AAZTZCXLHCATIM-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 56ADRWkb2vX
Name Phosphonic acid, [2-[[(4-methylphenyl)sulfonyl]oxy]-3-oxobutyl]-, bis(1-methylethyl) ester
CAS Registry Number 101133-03-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H27O7PS
InChI InChI=1S/C17H27O7PS/c1-12(2)22-25(19,23-13(3)4)11-17(15(6)18)24-26(20,21)16-9-7-14(5)8-10-16/h7-10,12-13,17H,11H2,1-6H3
InChIKey AAZTZCXLHCATIM-UHFFFAOYSA-N
Molecular Weight 406.430 g/mol
SMILES C(OS(c1ccc(cc1)C)(=O)=O)(CP(=O)(OC(C)C)OC(C)C)C(=O)C
SPLASH splash10-004i-0940000000-2849fce5067b4dbcc71c
Source of Spectrum K-118-4138-4
Synonyms 1-[(diisopropoxyphosphoryl)methyl]-2-oxopropyl 4-methylbenzenesulfonate [2-(4-methylphenylsulfonyloxy)-3-oxobutyl]phosphonoic acid diisopropylester
Wiley ID 1371962