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4-Oxo-4-phenyl-3-tosyl-butanoic acid, ethyl ester
SpectraBase Compound ID IPNYk21Vn9u
InChI InChI=1S/C19H20O5S/c1-3-24-18(20)13-17(19(21)15-7-5-4-6-8-15)25(22,23)16-11-9-14(2)10-12-16/h4-12,17H,3,13H2,1-2H3
InChIKey ITNMMPDDFXPKPH-UHFFFAOYSA-N
Mol Weight 360.42 g/mol
Molecular Formula C19H20O5S
Exact Mass 360.103145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jt8goFlWKQu
Name Benzenebutanoic acid, .beta.-[(4-methylphenyl)sulfonyl]-.gamma.-oxo-, ethyl ester
Alternate Name(s) Ethyl 3-[(4-methylphenyl)sulfonyl]-4-oxo-4-phenylbutanoate Ethyl 4-oxo-4-phenyl-3-tosylbutanoate
CAS Registry Number 124455-43-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20O5S
InChI InChI=1S/C19H20O5S/c1-3-24-18(20)13-17(19(21)15-7-5-4-6-8-15)25(22,23)16-11-9-14(2)10-12-16/h4-12,17H,3,13H2,1-2H3
InChIKey ITNMMPDDFXPKPH-UHFFFAOYSA-N
Molecular Weight 360.424 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)(C(=O)c1ccccc1)CC(=O)OCC
SPLASH splash10-0a4i-2900000000-2f43e5f48ed347ff6c8e
Source of Spectrum KC-1989-1390-10
Wiley ID 1348245