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3,6-difluoro-2-[2-(1H-indol-3-yl)ethylcarbamoyl]benzoic acid

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3,6-difluoro-2-[2-(1H-indol-3-yl)ethylcarbamoyl]benzoic acid
SpectraBase Compound ID 7fapUE6E976
InChI InChI=1S/C18H14F2N2O3/c19-12-5-6-13(20)16(18(24)25)15(12)17(23)21-8-7-10-9-22-14-4-2-1-3-11(10)14/h1-6,9,22H,7-8H2,(H,21,23)(H,24,25)
InChIKey VAKVNMZHYLOJHS-UHFFFAOYSA-N
Mol Weight 344.32 g/mol
Molecular Formula C18H14F2N2O3
Exact Mass 344.097249 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9g5vrhms6QN
Name 3,6-difluoro-2-[2-(1H-indol-3-yl)ethylcarbamoyl]benzoic acid
Compound Number 19B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H14F2N2O3
InChI InChI=1S/C18H14F2N2O3/c19-12-5-6-13(20)16(18(24)25)15(12)17(23)21-8-7-10-9-22-14-4-2-1-3-11(10)14/h1-6,9,22H,7-8H2,(H,21,23)(H,24,25)
InChIKey VAKVNMZHYLOJHS-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 344.318 g/mol
Solvent CD3OD
Source File Reference UWMZ13045