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

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Ethyl 4-(2-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
SpectraBase Compound ID CMHFIKXWF5j
InChI InChI=1S/C21H24FNO3/c1-5-26-20(25)17-12(2)23-15-10-21(3,4)11-16(24)19(15)18(17)13-8-6-7-9-14(13)22/h6-9,18,23H,5,10-11H2,1-4H3
InChIKey ZBSIGKQXMCNKJN-UHFFFAOYSA-N
Mol Weight 357.43 g/mol
Molecular Formula C21H24FNO3
Exact Mass 357.174022 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hetm18iO8D2
Name Ethyl 4-(2-fluorophenyl)-2,7,7-trimethyl-5-oxo-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 357.174021797 u
Formula C21H24FNO3
InChI InChI=1S/C21H24FNO3/c1-5-26-20(25)17-12(2)23-15-10-21(3,4)11-16(24)19(15)18(17)13-8-6-7-9-14(13)22/h6-9,18,23H,5,10-11H2,1-4H3
InChIKey ZBSIGKQXMCNKJN-UHFFFAOYSA-N
Molecular Weight 357.425 g/mol
SMILES N1C(=C(C(C=2C(CC(CC12)(C)C)=O)C1=C(F)C=CC=C1)C(=O)OCC)C