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METHYL-5-ACETAMIDO-4-PHENYLSULFONYLCYCLOHEXA-1,4-DIENECARBOXYLATE
SpectraBase Compound ID BMmE7Rmxw5W
InChI InChI=1S/C16H17NO5S/c1-11(18)17-14-10-12(16(19)22-2)8-9-15(14)23(20,21)13-6-4-3-5-7-13/h3-8H,9-10H2,1-2H3,(H,17,18)
InChIKey PBFOPIVLIUOMQE-UHFFFAOYSA-N
Mol Weight 335.37 g/mol
Molecular Formula C16H17NO5S
Exact Mass 335.082744 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BZVB5tVaCrc
Name 5-Acetamido-4-(benzenesulfonyl)-1-cyclohexa-1,4-dienecarboxylic acid methyl ester
Alternate Name(s) 5-Acetamido-4-besyl-cyclohexa-1,4-diene-1-carboxylic acid methyl ester Methyl 5-acetamido-4-(benzenesulfonyl)cyclohexa-1,4-diene-1-carboxylate Methyl 5-acetamido-4-(phenylsulfonyl)cyclohexa-1,4-diene-1-carboxylate
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Formula C16H17NO5S
InChI InChI=1S/C16H17NO5S/c1-11(18)17-14-10-12(16(19)22-2)8-9-15(14)23(20,21)13-6-4-3-5-7-13/h3-8H,9-10H2,1-2H3,(H,17,18)
InChIKey PBFOPIVLIUOMQE-UHFFFAOYSA-N
Molecular Weight 335.374 g/mol
SMILES N(C1=C(S(=O)(=O)c2ccccc2)CC=C(C(=O)OC)C1)C(=O)C
SPLASH splash10-0002-1900000000-23511d9831e2ac6bb4a8
Source of Spectrum KC-0-1696-7
Wiley ID 822693