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Phosphonic acid, [2-[[(4-methylphenyl)sulfonyl]oxy]-3-oxo-1-butenyl]-, bis(1-methylethyl) ester, (Z)-
SpectraBase Compound ID 5K7Lx5BkLkG
InChI InChI=1S/C17H25O7PS/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/h7-13H,1-6H3/b17-11-
InChIKey ZDSUSYPZLSJLSD-BOPFTXTBSA-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 5oLu3wwocMh
Name Phosphonic acid, [2-[[(4-methylphenyl)sulfonyl]oxy]-3-oxo-1-butenyl]-, bis(1-methylethyl) ester, (Z)-
CAS Registry Number 101132-99-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H25O7PS
InChI InChI=1S/C17H25O7PS/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/h7-13H,1-6H3/b17-11-
InChIKey ZDSUSYPZLSJLSD-BOPFTXTBSA-N
Molecular Weight 404.414 g/mol
SMILES C(OP(\C=C\(OS(c1ccc(cc1)C)(=O)=O)C(=O)C)(=O)OC(C)C)(C)C
SPLASH splash10-0a6r-0961000000-2d54f130053a03d9e70f
Source of Spectrum K-118-4137-3
Synonyms (Z)-1-acetyl-2-(diisopropoxyphosphoryl)ethenyl 4-methylbenzenesulfonate (Z)-[2-(4-methylphenylsulfonyloxy)-3-oxo-1-butenyl]phosphonic acid diisopropylester
Wiley ID 1371070