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Methyl 3-oxo-4-(phenylsulfonyl)-butanoate
SpectraBase Compound ID 3XNsUhRIhFw
InChI InChI=1S/C11H12O5S/c1-16-11(13)7-9(12)8-17(14,15)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
InChIKey KXVJMMKUBFYYDR-UHFFFAOYSA-N
Mol Weight 256.27 g/mol
Molecular Formula C11H12O5S
Exact Mass 256.040545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4cnb0pigqm
Name Methyl 3-oxo-4-(phenylsulfonyl)-butanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12O5S
InChI InChI=1S/C11H12O5S/c1-16-11(13)7-9(12)8-17(14,15)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
InChIKey KXVJMMKUBFYYDR-UHFFFAOYSA-N
Molecular Weight 256.272 g/mol
SMILES C(S(=O)(=O)c1ccccc1)C(CC(=O)OC)=O
SPLASH splash10-0fbc-7910000000-2405b61b05f40082dbdd
Source of Spectrum F5-6-3370-13a
Synonyms Methyl 3-oxo-4-(phenylsulfonyl)butanoate 4-(benzenesulfonyl)-3-oxobutanoic acid methyl ester Methyl 4-(benzenesulfonyl)-3-oxobutanoate Methyl 4-(benzenesulfonyl)-3-oxo-butanoate Methyl 3-oxidanylidene-4-(phenylsulfonyl)butanoate
Wiley ID 1733586