John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=O0oneYjBiq SpectraBase Spectrum ID=2vyCqOOHGnt

(accessed ).
METHYL-4-ACETAMIDO-5-PHENYLSULFINYLCYCLOHEXA-1,4-DIENECARBOXYLATE
SpectraBase Compound ID O0oneYjBiq
InChI InChI=1S/C16H17NO4S/c1-11(18)17-14-9-8-12(16(19)21-2)10-15(14)22(20)13-6-4-3-5-7-13/h3-8H,9-10H2,1-2H3,(H,17,18)
InChIKey XHLJEGCXIATJNA-UHFFFAOYSA-N
Mol Weight 319.38 g/mol
Molecular Formula C16H17NO4S
Exact Mass 319.08783 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2vyCqOOHGnt
Name METHYL-4-ACETAMIDO-5-PHENYLSULFINYLCYCLOHEXA-1,4-DIENECARBOXYLATE
Compound Number 6B
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Formula C16H17NO4S
InChI InChI=1S/C16H17NO4S/c1-11(18)17-14-9-8-12(16(19)21-2)10-15(14)22(20)13-6-4-3-5-7-13/h3-8H,9-10H2,1-2H3,(H,17,18)
InChIKey XHLJEGCXIATJNA-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 UWRU10022
SpectraBase Batch ID 67HuBlZe66k