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9-CYANO-2-TRIFLUOROMETHYL-NEOCRYPTOLEPINE
SpectraBase Compound ID Dvnlb2zVTzr
InChI InChI=1S/C18H10F3N3/c1-24-16-5-3-12(18(19,20)21)7-11(16)8-14-13-6-10(9-22)2-4-15(13)23-17(14)24/h2-8H,1H3
InChIKey ILJCZQVNOTYOMQ-UHFFFAOYSA-N
Mol Weight 325.29 g/mol
Molecular Formula C18H10F3N3
Exact Mass 325.082682 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FVytjifj5Av
Name 9-CYANO-2-TRIFLUOROMETHYL-NEOCRYPTOLEPINE
Compound Number 1 N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H10F3N3
InChI InChI=1S/C18H10F3N3/c1-24-16-5-3-12(18(19,20)21)7-11(16)8-14-13-6-10(9-22)2-4-15(13)23-17(14)24/h2-8H,1H3
InChIKey ILJCZQVNOTYOMQ-UHFFFAOYSA-N
Literature Reference Author T.H.M.JONCKERS,S.V.MIERT,K.CIMANGA,C.BAILLY,P.COLSON,M.C.D.P AUW-GILLET,H.V.D.HEU
Literature Reference Citation J.MED.CHEM.,45,3497(2002)
Literature Reference DOI 10.1021/jm011102i
Molecular Weight 325.293 g/mol
Sample ID 64936
Solvent DMSO-D6