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benzyl 2-methyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
SpectraBase Compound ID BcXabeM2OAd
InChI InChI=1S/C25H22F3NO3/c1-15-21(24(31)32-14-16-8-3-2-4-9-16)22(23-19(29-15)12-7-13-20(23)30)17-10-5-6-11-18(17)25(26,27)28/h2-6,8-11,22,29H,7,12-14H2,1H3
InChIKey GDWRIOUHCKMNGU-UHFFFAOYSA-N
Mol Weight 441.45 g/mol
Molecular Formula C25H22F3NO3
Exact Mass 441.155178 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KasV3MMJh5d
Name benzyl 2-methyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C25H22F3NO3/c1-15-21(24(31)32-14-16-8-3-2-4-9-16)22(23-19(29-15)12-7-13-20(23)30)17-10-5-6-11-18(17)25(26,27)28/h2-6,8-11,22,29H,7,12-14H2,1H3
InChIKey GDWRIOUHCKMNGU-UHFFFAOYSA-N
NMR Offset 17.9125
NMR Spectrometer Frequency 500.077
Observed nucleus 1H
Origin 1H_SBI_36227_30873
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: 1727978; SBI_ID: SBI-030877
Temperature 303 °C