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5-(2-chloro-6-fluoro-benzyl)-3,6-dimethyl-pyridazine-4-carboxylic acid benzyl ester
SpectraBase Compound ID mT8VFxqlC3
InChI InChI=1S/C21H18ClFN2O2/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/h3-10H,11-12H2,1-2H3
InChIKey AXBSUNIJUITRAC-UHFFFAOYSA-N
Mol Weight 384.84 g/mol
Molecular Formula C21H18ClFN2O2
Exact Mass 384.104084 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BEuudyP13X2
Name 5-(2-chloro-6-fluoro-benzyl)-3,6-dimethyl-pyridazine-4-carboxylic acid benzyl ester
Compound Number 9V
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H18ClFN2O2
InChI InChI=1S/C21H18ClFN2O2/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/h3-10H,11-12H2,1-2H3
InChIKey AXBSUNIJUITRAC-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 384.838 g/mol
Sample ID 27041
Solvent CDCl3