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3-TRIFLUOROMETHYL-NEOCRYPTOLEPINE
SpectraBase Compound ID 2HiOm3ZCVoo
InChI InChI=1S/C17H11F3N2/c1-22-15-9-11(17(18,19)20)7-6-10(15)8-13-12-4-2-3-5-14(12)21-16(13)22/h2-9H,1H3
InChIKey JTVWQNXOYGMKHZ-UHFFFAOYSA-N
Mol Weight 300.28 g/mol
Molecular Formula C17H11F3N2
Exact Mass 300.087433 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EUNmOtXTHwE
Name 3-TRIFLUOROMETHYL-NEOCRYPTOLEPINE
Compound Number 1Y
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H11F3N2
InChI InChI=1S/C17H11F3N2/c1-22-15-9-11(17(18,19)20)7-6-10(15)8-13-12-4-2-3-5-14(12)21-16(13)22/h2-9H,1H3
InChIKey JTVWQNXOYGMKHZ-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 300.283 g/mol
Sample ID 64944
Solvent DMSO-D6