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3-(2-BENZYL-8-METHOXY-2,3,4,9-TETRAHYDRO-1H-CARBOLIN-1-YL)-PROPIONIC-ACID-2,2,2-TRIFLUORO-ETHYLESTER
SpectraBase Compound ID FFGJ2ueHqgq
InChI InChI=1S/C24H25F3N2O3/c1-31-20-9-5-8-17-18-12-13-29(14-16-6-3-2-4-7-16)19(22(18)28-23(17)20)10-11-21(30)32-15-24(25,26)27/h2-9,19,28H,10-15H2,1H3
InChIKey KQNPVAHGAVPURD-UHFFFAOYSA-N
Mol Weight 446.47 g/mol
Molecular Formula C24H25F3N2O3
Exact Mass 446.181727 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BwBzp0WON1H
Name 3-(2-BENZYL-8-METHOXY-2,3,4,9-TETRAHYDRO-1H-CARBOLIN-1-YL)-PROPIONIC-ACID-2,2,2-TRIFLUORO-ETHYLESTER
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H25F3N2O3
InChI InChI=1S/C24H25F3N2O3/c1-31-20-9-5-8-17-18-12-13-29(14-16-6-3-2-4-7-16)19(22(18)28-23(17)20)10-11-21(30)32-15-24(25,26)27/h2-9,19,28H,10-15H2,1H3
InChIKey KQNPVAHGAVPURD-UHFFFAOYSA-N
Literature Reference Author P.D.REGE,Y.TIAN,E.J.COREY
Literature Reference Citation ORG.LETTERS,8,3117(2006)
Literature Reference DOI 10.1021/ol061319c
Solvent CDCl3
Source File Reference UWLU60676