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ETHYL-5-[(2,6-DIOXOCYCLOHEXYLIDENEMETHYL)-AMINO]-4-OXO-3-PHENYL-3,4-DIHYDROTHIENO-[3,4-D]-PYRIDAZINE-1-CARBOXYLATE
SpectraBase Compound ID 724Da2PwNBF
InChI InChI=1S/C22H19N3O5S/c1-2-30-22(29)19-15-12-31-20(23-11-14-16(26)9-6-10-17(14)27)18(15)21(28)25(24-19)13-7-4-3-5-8-13/h3-5,7-8,11-12,23H,2,6,9-10H2,1H3
InChIKey CRFGFBAOZRAICO-UHFFFAOYSA-N
Mol Weight 437.47 g/mol
Molecular Formula C22H19N3O5S
Exact Mass 437.104542 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 48fHUDLWSbL
Name ETHYL-5-[(2,6-DIOXOCYCLOHEXYLIDENEMETHYL)-AMINO]-4-OXO-3-PHENYL-3,4-DIHYDROTHIENO-[3,4-D]-PYRIDAZINE-1-CARBOXYLATE
Compound Number 21A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H19N3O5S
InChI InChI=1S/C22H19N3O5S/c1-2-30-22(29)19-15-12-31-20(23-11-14-16(26)9-6-10-17(14)27)18(15)21(28)25(24-19)13-7-4-3-5-8-13/h3-5,7-8,11-12,23H,2,6,9-10H2,1H3
InChIKey CRFGFBAOZRAICO-UHFFFAOYSA-N
Literature Reference Author B.AL-SALEH,M.A.EL-APASERY
Literature Reference Citation J.HETCYCL.CHEM.,43,559(2006)
Literature Reference DOI 10.1002/jhet.5570430306
Molecular Weight 437.470 g/mol
Sample ID 67346
Solvent CDCl3