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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J8haVzjFlUw
Name METHYL-5-ACETAMIDO-4-PHENYLSULFINYLCYCLOHEXA-1,4-DICARBOXYLATE
Compound Number 7B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
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
Literature Reference Author S.S.P.CHOU,T.J.CHOW,C.H.HSU,C.YANG,S.H.LONG,C.D.LIN
Literature Reference Citation J.CHEM.SOC.PERKIN-1,1691(1997)
Literature Reference DOI 10.1039/a607817f
Molecular Weight 319.375 g/mol
Solvent CDCl3
Source File Reference UWRU10023