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2-[2-(1H-indol-3-yl)ethylcarbamoyl]benzoic acid

View entire compound with spectra: 1 NMR

2-[2-(1H-indol-3-yl)ethylcarbamoyl]benzoic acid
SpectraBase Compound ID Bc3M35QuV8k
InChI InChI=1S/C18H16N2O3/c21-17(14-6-1-2-7-15(14)18(22)23)19-10-9-12-11-20-16-8-4-3-5-13(12)16/h1-8,11,20H,9-10H2,(H,19,21)(H,22,23)
InChIKey WTZZJQFENQOMLV-UHFFFAOYSA-N
Mol Weight 308.34 g/mol
Molecular Formula C18H16N2O3
Exact Mass 308.116092 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CFaJHodr2V2
Name 2-[2-(1H-indol-3-yl)ethylcarbamoyl]benzoic acid
Compound Number 19A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H16N2O3
InChI InChI=1S/C18H16N2O3/c21-17(14-6-1-2-7-15(14)18(22)23)19-10-9-12-11-20-16-8-4-3-5-13(12)16/h1-8,11,20H,9-10H2,(H,19,21)(H,22,23)
InChIKey WTZZJQFENQOMLV-UHFFFAOYSA-N
Literature Reference Author F.SORIANO-AGATON,D.LAGOUTTE,E.POUPON,F.ROBLOT,A.FOURNET,J.C. GANTIER,R.HOCQUEMILL
Literature Reference Citation J.NAT.PROD.,68,1581(2005)
Literature Reference DOI 10.1021/np050250z
Molecular Weight 308.337 g/mol
Solvent CD3OD
Source File Reference UWMZ13044