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3-[2-(2-AMINOPHENYL)-1-(PHENETHYLTHIO)-ETHYL]-2,3-DIHYDRO-1H,1'H-2,3'-BIINDOLE-5'-CARBOXYLIC-ACID
SpectraBase Compound ID 5YWheDjXg9T
InChI InChI=1S/C33H31N3O2S/c34-27-12-6-4-10-22(27)19-30(39-17-16-21-8-2-1-3-9-21)31-24-11-5-7-13-29(24)36-32(31)26-20-35-28-15-14-23(33(37)38)18-25(26)28/h1-15,18,20,30-32,35-36H,16-17,19,34H2,(H,37,38)
InChIKey CUCZLSZDYLPUIL-UHFFFAOYSA-N
Mol Weight 533.7 g/mol
Molecular Formula C33H31N3O2S
Exact Mass 533.213698 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Aa6gNIVP6Ky
Name 3-[2-(2-AMINOPHENYL)-1-(PHENETHYLTHIO)-ETHYL]-2,3-DIHYDRO-1H,1'H-2,3'-BIINDOLE-5'-CARBOXYLIC-ACID
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H31N3O2S
InChI InChI=1S/C33H31N3O2S/c34-27-12-6-4-10-22(27)19-30(39-17-16-21-8-2-1-3-9-21)31-24-11-5-7-13-29(24)36-32(31)26-20-35-28-15-14-23(33(37)38)18-25(26)28/h1-15,18,20,30-32,35-36H,16-17,19,34H2,(H,37,38)
InChIKey CUCZLSZDYLPUIL-UHFFFAOYSA-N
Literature Reference Author F.MITULIS,A.GOGOLL,I.MUTULE,S.YAHORAVA,A.YAHORAU,E.LIEPINSH, J.E.S.WIKBERG
Literature Reference Citation MOLECULES,13,1846(2008)
Literature Reference DOI 10.3390/molecules13081846
Molecular Weight 533.688 g/mol
Sample ID 56883
Solvent DMSO-D6