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1,2,3,4,5,6-HEXAHYDRO-5-METHYL-8,9-BIS-(TRIFLUOROMETHYL)-PYRIDO-[2,3-B]-1,5-DIAZOCINE
SpectraBase Compound ID 77qyKjiR6jQ
InChI InChI=1S/C12H13F6N3/c1-21-4-2-3-19-10-7(6-21)5-8(11(13,14)15)9(20-10)12(16,17)18/h5H,2-4,6H2,1H3,(H,19,20)
InChIKey HJPIAEBYTJPZJJ-UHFFFAOYSA-N
Mol Weight 313.25 g/mol
Molecular Formula C12H13F6N3
Exact Mass 313.101366 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2wUJEcRqRHD
Name 1,2,3,4,5,6-HEXAHYDRO-5-METHYL-8,9-BIS-(TRIFLUOROMETHYL)-PYRIDO-[2,3-B]-1,5-DIAZOCINE
CAS Registry Number 122116-11-4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H13F6N3
InChI InChI=1S/C12H13F6N3/c1-21-4-2-3-19-10-7(6-21)5-8(11(13,14)15)9(20-10)12(16,17)18/h5H,2-4,6H2,1H3,(H,19,20)
InChIKey HJPIAEBYTJPZJJ-UHFFFAOYSA-N
Literature Reference Author R.JOHN,G.SEITZ
Literature Reference Citation CHEM.BER.,123,133(1990)
Literature Reference DOI 10.1002/cber.19901230125
Molecular Weight 313.246 g/mol
Solvent CDCl3
Source File Reference UWED9645