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METHYL-5-ACETAMIDO-4-PHENYLSULFINYLCYCLOHEXA-1,4-DICARBOXYLATE

View entire compound with spectra: 1 NMR, and 1 MS (GC)

METHYL-5-ACETAMIDO-4-PHENYLSULFINYLCYCLOHEXA-1,4-DICARBOXYLATE
SpectraBase Compound ID AQ242gMnSJp
InChI InChI=1S/C16H17NO4S/c1-11(18)17-14-10-12(16(19)21-2)8-9-15(14)22(20)13-6-4-3-5-7-13/h3-8H,9-10H2,1-2H3,(H,17,18)
InChIKey VZMCPVYNLFBHOR-UHFFFAOYSA-N
Mol Weight 319.38 g/mol
Molecular Formula C16H17NO4S
Exact Mass 319.087829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5vIdaWtdDeA
Name 5-Acetamido-4-(benzenesulfinyl)-1-cyclohexa-1,4-dienecarboxylic acid methyl ester
Alternate Name(s) 5-Acetamido-4-(benzenesulfinyl)cyclohexa-1,4-diene-1-carboxylic acid methyl ester Methyl 5-acetamido-4-(benzenesulfinyl)cyclohexa-1,4-diene-1-carboxylate Methyl 5-acetamido-4-(phenylsulfinyl)cyclohexa-1,4-diene-1-carboxylate
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Formula C16H17NO4S
InChI InChI=1S/C16H17NO4S/c1-11(18)17-14-10-12(16(19)21-2)8-9-15(14)22(20)13-6-4-3-5-7-13/h3-8H,9-10H2,1-2H3,(H,17,18)
InChIKey VZMCPVYNLFBHOR-UHFFFAOYSA-N
Molecular Weight 319.375 g/mol
SMILES N(C1=C(S(=O)c2ccccc2)CC=C(C(=O)OC)C1)C(=O)C
SPLASH splash10-0fef-4911000000-0bd2e768f1df03121c89
Source of Spectrum KC-0-1694-7
Wiley ID 822695