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

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Tetrahydro-2-furanylmethyl 2,7,7-trimethyl-5-oxo-4-(3-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
SpectraBase Compound ID FXPErs55ich
InChI InChI=1S/C23H28N2O4/c1-14-19(22(27)29-13-16-7-5-9-28-16)20(15-6-4-8-24-12-15)21-17(25-14)10-23(2,3)11-18(21)26/h4,6,8,12,16,20,25H,5,7,9-11,13H2,1-3H3
InChIKey LEKZNWYPEKHOLT-UHFFFAOYSA-N
Mol Weight 396.49 g/mol
Molecular Formula C23H28N2O4
Exact Mass 396.204907 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DCCfyWVgnCz
Name Tetrahydro-2-furanylmethyl 2,7,7-trimethyl-5-oxo-4-(3-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 396.204907386 u
Formula C23H28N2O4
InChI InChI=1S/C23H28N2O4/c1-14-19(22(27)29-13-16-7-5-9-28-16)20(15-6-4-8-24-12-15)21-17(25-14)10-23(2,3)11-18(21)26/h4,6,8,12,16,20,25H,5,7,9-11,13H2,1-3H3
InChIKey LEKZNWYPEKHOLT-UHFFFAOYSA-N
Molecular Weight 396.487 g/mol
SMILES N1C2=C(C(C(=C1C)C(OCC1OCCC1)=O)C1=CN=CC=C1)C(CC(C2)(C)C)=O