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5-[(2,6-Diketo-4,4-dimethyl-cyclohexylidene)methylamino]-4-keto-3-phenyl-thieno[3,4-D]pyridazine-1-carboxylic acid ethyl ester

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5-[(2,6-Diketo-4,4-dimethyl-cyclohexylidene)methylamino]-4-keto-3-phenyl-thieno[3,4-D]pyridazine-1-carboxylic acid ethyl ester
SpectraBase Compound ID 3HWBEikCX9M
InChI InChI=1S/C24H23N3O5S/c1-4-32-23(31)20-16-13-33-21(25-12-15-17(28)10-24(2,3)11-18(15)29)19(16)22(30)27(26-20)14-8-6-5-7-9-14/h5-9,12-13,25H,4,10-11H2,1-3H3
InChIKey SFEYMPGJYMYMMG-UHFFFAOYSA-N
Mol Weight 465.52 g/mol
Molecular Formula C24H23N3O5S
Exact Mass 465.135842 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1dP9HJgBtMe
Name 5-[(2,6-Diketo-4,4-dimethyl-cyclohexylidene)methylamino]-4-keto-3-phenyl-thieno[3,4-D]pyridazine-1-carboxylic acid ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 465.135842022 u
Formula C24H23N3O5S
InChI InChI=1S/C24H23N3O5S/c1-4-32-23(31)20-16-13-33-21(25-12-15-17(28)10-24(2,3)11-18(15)29)19(16)22(30)27(26-20)14-8-6-5-7-9-14/h5-9,12-13,25H,4,10-11H2,1-3H3
InChIKey SFEYMPGJYMYMMG-UHFFFAOYSA-N
Molecular Weight 465.524 g/mol
SMILES C=12C(C(C(=O)OCC)=NN(C2=O)C2=CC=CC=C2)=CSC1NC=C1C(CC(CC1=O)(C)C)=O