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5-(2-chloro-6-fluoro-benzyl)-3,6-dimethyl-1,4-dihydropyridazine-4-carboxylic acid benzyl ester
SpectraBase Compound ID 1F1mzdkAFav
InChI InChI=1S/C21H20ClFN2O2/c1-13-16(11-17-18(22)9-6-10-19(17)23)20(14(2)25-24-13)21(26)27-12-15-7-4-3-5-8-15/h3-10,20,24H,11-12H2,1-2H3
InChIKey ZHYJEIHNVSGFIE-UHFFFAOYSA-N
Mol Weight 386.85 g/mol
Molecular Formula C21H20ClFN2O2
Exact Mass 386.119734 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L8rkd1CKVbR
Name 5-(2-chloro-6-fluoro-benzyl)-3,6-dimethyl-1,4-dihydropyridazine-4-carboxylic acid benzyl ester
Compound Number 5V
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Formula C21H20ClFN2O2
InChI InChI=1S/C21H20ClFN2O2/c1-13-16(11-17-18(22)9-6-10-19(17)23)20(14(2)25-24-13)21(26)27-12-15-7-4-3-5-8-15/h3-10,20,24H,11-12H2,1-2H3
InChIKey ZHYJEIHNVSGFIE-UHFFFAOYSA-N
Literature Reference Author O.A.ATTANASI,P.FILIPPONE,C.FIORUCCI,E.FORESTI,F.MANTELLINI
Literature Reference Citation J.ORG.CHEM.,63,9880(1998)
Literature Reference DOI 10.1021/jo9816515
Molecular Weight 386.853 g/mol
Sample ID 27020
Solvent CDCl3