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Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-(2-pyridin-4-ylethylcarbamoyl)-
SpectraBase Compound ID KksATG9Qlnq
InChI InChI=1S/C16H18N2O3/c19-15(18-8-5-10-3-6-17-7-4-10)13-11-1-2-12(9-11)14(13)16(20)21/h1-4,6-7,11-14H,5,8-9H2,(H,18,19)(H,20,21)
InChIKey RPUZUGCWRTXDBT-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 B9g9C25fMvd
Name Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-(2-pyridin-4-ylethylcarbamoyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 286.131742445 u
Formula C16H18N2O3
InChI InChI=1S/C16H18N2O3/c19-15(18-8-5-10-3-6-17-7-4-10)13-11-1-2-12(9-11)14(13)16(20)21/h1-4,6-7,11-14H,5,8-9H2,(H,18,19)(H,20,21)
InChIKey RPUZUGCWRTXDBT-UHFFFAOYSA-N
SMILES C=1C2C(C(O)=O)C(C(C1)C2)C(NCCC1=CC=NC=C1)=O