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Thieno[3,4-d]pyridazine-1-carboxylic acid, 5-amino-3-(4-methoxyphenyl)-4-oxo-3,4-dihydro-, ethyl ester
SpectraBase Compound ID EZ4BteU8cJc
InChI InChI=1S/C16H15N3O4S/c1-3-23-16(21)13-11-8-24-14(17)12(11)15(20)19(18-13)9-4-6-10(22-2)7-5-9/h4-8H,3,17H2,1-2H3
InChIKey ZHOXCPCRQLGLIL-UHFFFAOYSA-N
Mol Weight 345.37 g/mol
Molecular Formula C16H15N3O4S
Exact Mass 345.078327 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8VWMrcYxoFu
Name Thieno[3,4-D]pyridazine-1-carboxylic acid, 5-amino-3-(4-methoxyphenyl)-4-oxo-3,4-dihydro-, ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 345.078327145 u
Formula C16H15N3O4S
InChI InChI=1S/C16H15N3O4S/c1-3-23-16(21)13-11-8-24-14(17)12(11)15(20)19(18-13)9-4-6-10(22-2)7-5-9/h4-8H,3,17H2,1-2H3
InChIKey ZHOXCPCRQLGLIL-UHFFFAOYSA-N
Molecular Weight 345.373 g/mol
SMILES C=12C(C(C(=O)OCC)=NN(C2=O)C2=CC=C(OC)C=C2)=CSC1N