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2-Methyl-5-oxo-7-thiophen-2-yl-4-[4-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid ethyl ester

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2-Methyl-5-oxo-7-thiophen-2-yl-4-[4-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid ethyl ester
SpectraBase Compound ID 8ifXp3ykcrb
InChI InChI=1S/C24H22F3NO3S/c1-3-31-23(30)20-13(2)28-17-11-15(19-5-4-10-32-19)12-18(29)22(17)21(20)14-6-8-16(9-7-14)24(25,26)27/h4-10,15,21,28H,3,11-12H2,1-2H3
InChIKey JUISVYCQDRDJNL-UHFFFAOYSA-N
Mol Weight 461.5 g/mol
Molecular Formula C24H22F3NO3S
Exact Mass 461.127249 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LGvHGW2gjRH
Name 3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-7-(2-thienyl)-4-[4-(trifluoromethyl)phenyl]-, ethyl 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 461.127249232 u
Formula C24H22F3NO3S
InChI InChI=1S/C24H22F3NO3S/c1-3-31-23(30)20-13(2)28-17-11-15(19-5-4-10-32-19)12-18(29)22(17)21(20)14-6-8-16(9-7-14)24(25,26)27/h4-10,15,21,28H,3,11-12H2,1-2H3
InChIKey JUISVYCQDRDJNL-UHFFFAOYSA-N
Molecular Weight 461.499 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14675
Solvent DMSO-d6
Source Vendor ID: NMR/10311576; Lab Info: SAS; Lab Number: SAS-tst4371