Benzyl 2-methyl-5-oxo-4-[4-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

SpectraBase Compound ID	BLEfWdCs1bB
InChI	InChI=1S/C25H22F3NO3/c1-15-21(24(31)32-14-16-6-3-2-4-7-16)22(23-19(29-15)8-5-9-20(23)30)17-10-12-18(13-11-17)25(26,27)28/h2-4,6-7,10-13,22,29H,5,8-9,14H2,1H3
InChIKey	AEKKKQZGFKZCDI-UHFFFAOYSA-N Google Search
Mol Weight	441.45 g/mol
Molecular Formula	C25H22F3NO3
Exact Mass	441.155178 g/mol

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SpectraBase Spectrum ID	508lHKV5Ay5
Name	3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-4-[4-(trifluoromethyl)phenyl]-, phenylmethyl ester
Copyright	Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	441.155178058 u
Formula	C25H22F3NO3
InChI	InChI=1S/C25H22F3NO3/c1-15-21(24(31)32-14-16-6-3-2-4-7-16)22(23-19(29-15)8-5-9-20(23)30)17-10-12-18(13-11-17)25(26,27)28/h2-4,6-7,10-13,22,29H,5,8-9,14H2,1H3
InChIKey	AEKKKQZGFKZCDI-UHFFFAOYSA-N
Molecular Weight	441.450 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_9355
Solvent	DMSO-d6
Source	Vendor ID: NMR/10240497; Lab Info: SAS; Lab Number: SAS-tst3685