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1-BUTYL-1-CYANO-1,2,3,4-TETRAHYDRO-4,4-DIMETHYL-2-PHTHALAZINECARBOXYLIC_ACID_TRICHLOROMETHYLESTER
SpectraBase Compound ID 4ONkS3L3Q81
InChI InChI=1S/C17H20Cl3N3O2/c1-4-5-10-22-16(2,3)13-9-7-6-8-12(13)14(11-21)23(22)15(24)25-17(18,19)20/h6-9,14H,4-5,10H2,1-3H3
InChIKey IQLHFRTUWQONBF-UHFFFAOYSA-N
Mol Weight 404.73 g/mol
Molecular Formula C17H20Cl3N3O2
Exact Mass 403.06211 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DS84dX3a5mQ
Name 1-BUTYL-1-CYANO-1,2,3,4-TETRAHYDRO-4,4-DIMETHYL-2-PHTHALAZINECARBOXYLIC_ACID_TRICHLOROMETHYLESTER
Compound Number 17F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H20Cl3N3O2
InChI InChI=1S/C17H20Cl3N3O2/c1-4-5-10-22-16(2,3)13-9-7-6-8-12(13)14(11-21)23(22)15(24)25-17(18,19)20/h6-9,14H,4-5,10H2,1-3H3
InChIKey IQLHFRTUWQONBF-UHFFFAOYSA-N
Literature Reference Author J.M.RUXER,J.MAUGER,D.BENARD,C.LACHOUX
Literature Reference Citation J.HETCYCL.CHEM.,32,643(1995)
Literature Reference DOI 10.1002/jhet.5570320245
Molecular Weight 404.724 g/mol
Solvent DMSO-D6
Source File Reference UWMZ5354