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(3-Benzenesulfonyl-4-isobutyrylcyclopent-2-enyl)acetic acid, methyl ester
SpectraBase Compound ID 2VX13YWX2jQ
InChI InChI=1S/C18H22O5S/c1-12(2)18(20)15-9-13(11-17(19)23-3)10-16(15)24(21,22)14-7-5-4-6-8-14/h4-8,10,12-13,15H,9,11H2,1-3H3
InChIKey BTSSYLNAYUXWBQ-UHFFFAOYSA-N
Mol Weight 350.43 g/mol
Molecular Formula C18H22O5S
Exact Mass 350.118795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IcmGoiiwbmv
Name (3-Benzenesulfonyl-4-isobutyrylcyclopent-2-enyl)acetic acid, methyl ester
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Formula C18H22O5S
InChI InChI=1S/C18H22O5S/c1-12(2)18(20)15-9-13(11-17(19)23-3)10-16(15)24(21,22)14-7-5-4-6-8-14/h4-8,10,12-13,15H,9,11H2,1-3H3
InChIKey BTSSYLNAYUXWBQ-UHFFFAOYSA-N
Molecular Weight 350.429 g/mol
SMILES CC(C(C1C(=CC(CC(=O)OC)C1)S(=O)(=O)c1ccccc1)=O)C
SPLASH splash10-05bf-9220000000-307adf4706890b652977
Synonyms 2-(3-besyl-4-isobutyryl-cyclopent-2-en-1-yl)acetic acid methyl ester 2-[3-(benzenesulfonyl)-4-(2-methyl-1-oxopropyl)-1-cyclopent-2-enyl]acetic acid methyl ester Methyl 2-[3-(benzenesulfonyl)-4-(2-methylpropanoyl)cyclopent-2-en-1-yl]acetate Methyl 2-[4-(2-methylpropanoyl)-3-(phenylsulfonyl)cyclopent-2-en-1-yl]ethanoate
Wiley ID 1474747