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Dimethyl 4-acetamido-5-phenylthiocyclohexa-1,4-diene-1,2-dicarboxylate
SpectraBase Compound ID 5Y78wVms24n
InChI InChI=1S/C18H19NO5S/c1-11(20)19-15-9-13(17(21)23-2)14(18(22)24-3)10-16(15)25-12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3,(H,19,20)
InChIKey ZLIHWLWILKCSHO-UHFFFAOYSA-N
Mol Weight 361.41 g/mol
Molecular Formula C18H19NO5S
Exact Mass 361.098394 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AhYsQBK1L6b
Name DIMETHYL-4-ACETAMIDO-5-PHENYLTHIOCYCLOHEXA-1,4-DIENE-1,2-DICARBOXYLATE
Compound Number 5
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Formula C18H19NO5S
InChI InChI=1S/C18H19NO5S/c1-11(20)19-15-9-13(17(21)23-2)14(18(22)24-3)10-16(15)25-12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3,(H,19,20)
InChIKey ZLIHWLWILKCSHO-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 361.413 g/mol
Solvent CDCl3
Source File Reference UWRU10019