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1-(1H-indol-3-ylacetyl)-4-piperidinecarboxylic acid
SpectraBase Compound ID FJA0JWafwZg
InChI InChI=1S/C16H18N2O3/c19-15(18-7-5-11(6-8-18)16(20)21)9-12-10-17-14-4-2-1-3-13(12)14/h1-4,10-11,17H,5-9H2,(H,20,21)
InChIKey UDHFALXPDYJIJO-UHFFFAOYSA-N
Mol Weight 286.33 g/mol
Molecular Formula C16H18N2O3
Exact Mass 286.131742 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CiCHOEftXMC
Name 1-(1H-Indol-3-ylacetyl)-4-piperidinecarboxylic acid
Comments Computed using HOSE algorithm
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Exact Mass 286.131742445 u
Formula C16H18N2O3
InChI InChI=1S/C16H18N2O3/c19-15(18-7-5-11(6-8-18)16(20)21)9-12-10-17-14-4-2-1-3-13(12)14/h1-4,10-11,17H,5-9H2,(H,20,21)
InChIKey UDHFALXPDYJIJO-UHFFFAOYSA-N
Molecular Weight 286.331 g/mol
SMILES N1C2=C(C(CC(N3CCC(C(=O)O)CC3)=O)=C1)C=CC=C2