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2-Phenylethyl 2,7,7-trimethyl-5-oxo-4-(2-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

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2-Phenylethyl 2,7,7-trimethyl-5-oxo-4-(2-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
SpectraBase Compound ID 9w03Kb5MhcK
InChI InChI=1S/C26H28N2O3/c1-17-22(25(30)31-14-12-18-9-5-4-6-10-18)24(19-11-7-8-13-27-19)23-20(28-17)15-26(2,3)16-21(23)29/h4-11,13,24,28H,12,14-16H2,1-3H3
InChIKey WJLSNZKWVGBKNW-UHFFFAOYSA-N
Mol Weight 416.52 g/mol
Molecular Formula C26H28N2O3
Exact Mass 416.209993 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 73pHvKFQeM2
Name 2-Phenylethyl 2,7,7-trimethyl-5-oxo-4-(2-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 416.209992767 u
Formula C26H28N2O3
InChI InChI=1S/C26H28N2O3/c1-17-22(25(30)31-14-12-18-9-5-4-6-10-18)24(19-11-7-8-13-27-19)23-20(28-17)15-26(2,3)16-21(23)29/h4-11,13,24,28H,12,14-16H2,1-3H3
InChIKey WJLSNZKWVGBKNW-UHFFFAOYSA-N
Molecular Weight 416.521 g/mol
SMILES N1C(=C(C(C=2C(CC(CC12)(C)C)=O)C1=NC=CC=C1)C(=O)OCCC1=CC=CC=C1)C