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N-(3-AMINOPROPYL)-N-BENZYL-4-[2-(4-HYDROXY-BENZYL)-1-H-INDOL-3-YL]-BUTYRAMIDE-TRIFLUOROACETATE

View entire compound with spectra: 1 NMR

N-(3-AMINOPROPYL)-N-BENZYL-4-[2-(4-HYDROXY-BENZYL)-1-H-INDOL-3-YL]-BUTYRAMIDE-TRIFLUOROACETATE
SpectraBase Compound ID 5TaUa3B3NeJ
InChI InChI=1S/2C29H33N3O2.2C2HF3O2/c2*30-18-7-19-32(21-23-8-2-1-3-9-23)29(34)13-6-11-26-25-10-4-5-12-27(25)31-28(26)20-22-14-16-24(33)17-15-22;2*3-2(4,5)1(6)7/h2*1-5,8-10,12,14-17,31,33H,6-7,11,13,18-21,30H2;2*(H,6,7)
InChIKey FGUJOJMJXATGMQ-UHFFFAOYSA-N
Mol Weight 1139.25 g/mol
Molecular Formula C62H68F6N6O8
Exact Mass 1138.500282 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F5DcVzqFwzg
Name N-(3-AMINOPROPYL)-N-BENZYL-4-[2-(4-HYDROXY-BENZYL)-1-H-INDOL-3-YL]-BUTYRAMIDE-TRIFLUOROACETATE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C62H68F6N6O8
InChI InChI=1S/2C29H33N3O2.2C2HF3O2/c2*30-18-7-19-32(21-23-8-2-1-3-9-23)29(34)13-6-11-26-25-10-4-5-12-27(25)31-28(26)20-22-14-16-24(33)17-15-22;2*3-2(4,5)1(6)7/h2*1-5,8-10,12,14-17,31,33H,6-7,11,13,18-21,30H2;2*(H,6,7)
InChIKey FGUJOJMJXATGMQ-UHFFFAOYSA-N
Literature Reference Author F.MUTULIS,M.ERDELYI,I.MUTULE,J.KREICBERGA,S.YAHORAVA,A.YAHOR AU,L.B.JAN,J.E.S.WIK
Literature Reference Citation MOLECULES,8,728(2003)
Literature Reference DOI 10.3390/81000728
Molecular Weight 1139.248 g/mol
Solvent DMSO-D6
Source File Reference UWMS20936