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ETHYL-5-[4-(1,3-DIOXO-1,3-DIHYDROISOINDOL-2-YL)-3-OXOBUT-1-ENYL-AMINO]-4-OXO-3-PHENYL-3,4-DIHYDROTHIENO-[3,4-D]-PYRIDAZINE-1-CARBOXYLATE

View entire compound with spectra: 1 NMR

ETHYL-5-[4-(1,3-DIOXO-1,3-DIHYDROISOINDOL-2-YL)-3-OXOBUT-1-ENYL-AMINO]-4-OXO-3-PHENYL-3,4-DIHYDROTHIENO-[3,4-D]-PYRIDAZINE-1-CARBOXYLATE
SpectraBase Compound ID I65t8Wuv5Rc
InChI InChI=1S/C27H20N4O6S/c1-2-37-27(36)22-20-15-38-23(21(20)26(35)31(29-22)16-8-4-3-5-9-16)28-13-12-17(32)14-30-24(33)18-10-6-7-11-19(18)25(30)34/h3-13,15,28H,2,14H2,1H3/b13-12-
InChIKey RDWZLOQNZYSTQB-SEYXRHQNSA-N
Mol Weight 528.54 g/mol
Molecular Formula C27H20N4O6S
Exact Mass 528.110356 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ex9rwk0b9EI
Name ETHYL-5-[4-(1,3-DIOXO-1,3-DIHYDROISOINDOL-2-YL)-3-OXOBUT-1-ENYL-AMINO]-4-OXO-3-PHENYL-3,4-DIHYDROTHIENO-[3,4-D]-PYRIDAZINE-1-CARBOXYLATE
Compound Number 11A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H20N4O6S
InChI InChI=1S/C27H20N4O6S/c1-2-37-27(36)22-20-15-38-23(21(20)26(35)31(29-22)16-8-4-3-5-9-16)28-13-12-17(32)14-30-24(33)18-10-6-7-11-19(18)25(30)34/h3-13,15,28H,2,14H2,1H3/b13-12-
InChIKey RDWZLOQNZYSTQB-SEYXRHQNSA-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 528.539 g/mol
Sample ID 67342
Solvent CDCl3