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

View entire compound with spectra: 1 NMR

3-[2-(1H-indol-3-yl)ethylcarbamoyl]pyrazinoic acid
SpectraBase Compound ID Dy1PlCCm6vs
InChI InChI=1S/C16H14N4O3/c21-15(13-14(16(22)23)18-8-7-17-13)19-6-5-10-9-20-12-4-2-1-3-11(10)12/h1-4,7-9,20H,5-6H2,(H,19,21)(H,22,23)
InChIKey SSMAJXIUUJHXMF-UHFFFAOYSA-N
Mol Weight 310.31 g/mol
Molecular Formula C16H14N4O3
Exact Mass 310.10659 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4tbqKqB3ams
Name 3-[2-(1H-indol-3-yl)ethylcarbamoyl]pyrazinoic acid
Compound Number 26
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H14N4O3
InChI InChI=1S/C16H14N4O3/c21-15(13-14(16(22)23)18-8-7-17-13)19-6-5-10-9-20-12-4-2-1-3-11(10)12/h1-4,7-9,20H,5-6H2,(H,19,21)(H,22,23)
InChIKey SSMAJXIUUJHXMF-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 310.312 g/mol
Solvent CD3OD
Source File Reference UWMZ13049