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(1S,3R)-(1-METHYL-1-PHENYL-1,2,3,4-TETRAHYDRO-BETA-CARBOLINE-3-YL)-METHYL-(R)-ALPHA-METHOXY-ALPHA-TRIFLUOROMETHYLPHENYL-ACETATE

View entire compound with spectra: 1 NMR

(1S,3R)-(1-METHYL-1-PHENYL-1,2,3,4-TETRAHYDRO-BETA-CARBOLINE-3-YL)-METHYL-(R)-ALPHA-METHOXY-ALPHA-TRIFLUOROMETHYLPHENYL-ACETATE
SpectraBase Compound ID LVqWBcXMoBV
InChI InChI=1S/C29H27F3N2O3/c1-27(19-11-5-3-6-12-19)25-23(22-15-9-10-16-24(22)33-25)17-21(34-27)18-37-26(35)28(36-2,29(30,31)32)20-13-7-4-8-14-20/h3-16,21,33-34H,17-18H2,1-2H3/t21-,27+,28+/m0/s1
InChIKey MYGGMKWCQBXDML-GJJMEYSYSA-N
Mol Weight 508.54 g/mol
Molecular Formula C29H27F3N2O3
Exact Mass 508.197377 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 583z66eGX1M
Name (1S,3R)-(1-METHYL-1-PHENYL-1,2,3,4-TETRAHYDRO-BETA-CARBOLINE-3-YL)-METHYL-(R)-ALPHA-METHOXY-ALPHA-TRIFLUOROMETHYLPHENYL-ACETATE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H27F3N2O3
InChI InChI=1S/C29H27F3N2O3/c1-27(19-11-5-3-6-12-19)25-23(22-15-9-10-16-24(22)33-25)17-21(34-27)18-37-26(35)28(36-2,29(30,31)32)20-13-7-4-8-14-20/h3-16,21,33-34H,17-18H2,1-2H3/t21-,27+,28+/m0/s1
InChIKey MYGGMKWCQBXDML-GJJMEYSYSA-N
Literature Reference Author Y.HORIGUCHI,M.NAKAMURA,T.SAITOH,T.SANO
Literature Reference Citation CHEM.PHARM.BULL.,51,1368(2003)
Literature Reference DOI 10.1248/cpb.51.1368
Molecular Weight 508.540 g/mol
Solvent CDCl3
Source File Reference UWLU20530