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(1R,2R)-2-[METHYL-[1-(TRIFLUOROMETHYL)-3-BUTENYL]-AMINO]-1-PHENYL-1-PROPANOL;MAJOR-DIASTEREOMER
SpectraBase Compound ID B2ux6JGcEU7
InChI InChI=1S/2C14H18F3NO/c2*1-3-7-12(14(15,16)17)18-10(2)13(19)11-8-5-4-6-9-11/h2*3-6,8-10,12-13,18-19H,1,7H2,2H3/t2*10-,12?,13-/m00/s1
InChIKey LXFYRAPXVNPWPB-CDWMDJRDSA-N
Mol Weight 546.6 g/mol
Molecular Formula C28H36F6N2O2
Exact Mass 546.268097 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4X7sGvk9aLZ
Name (1R,2R)-2-[METHYL-[1-(TRIFLUOROMETHYL)-3-BUTENYL]-AMINO]-1-PHENYL-1-PROPANOL;MAJOR-DIASTEREOMER
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H36F6N2O2
InChI InChI=1S/2C14H18F3NO/c2*1-3-7-12(14(15,16)17)18-10(2)13(19)11-8-5-4-6-9-11/h2*3-6,8-10,12-13,18-19H,1,7H2,2H3/t2*10-,12?,13-/m00/s1
InChIKey LXFYRAPXVNPWPB-CDWMDJRDSA-N
Literature Reference Author T.BILLARD,B.R.LANGLOIS
Literature Reference Citation J.ORG.CHEM.,67,997(2002)
Literature Reference DOI 10.1021/jo016265t
Molecular Weight 546.596 g/mol
Solvent CDCl3
Source File Reference UWLU24902