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3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-4-[4-(trifluoromethyl)phenyl]-, 2-methoxyethyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-4-[4-(trifluoromethyl)phenyl]-, 2-methoxyethyl ester
SpectraBase Compound ID FFWujNMUpfm
InChI InChI=1S/C23H26F3NO4/c1-13-18(21(29)31-10-9-30-4)19(14-5-7-15(8-6-14)23(24,25)26)20-16(27-13)11-22(2,3)12-17(20)28/h5-8,19,27H,9-12H2,1-4H3
InChIKey ZXOHIGJZYPUQQR-UHFFFAOYSA-N
Mol Weight 437.46 g/mol
Molecular Formula C23H26F3NO4
Exact Mass 437.181393 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID B7ETCqTSulG
Name 3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-4-[4-(trifluoromethyl)phenyl]-, 2-methoxyethyl 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 437.181392806 u
Formula C23H26F3NO4
InChI InChI=1S/C23H26F3NO4/c1-13-18(21(29)31-10-9-30-4)19(14-5-7-15(8-6-14)23(24,25)26)20-16(27-13)11-22(2,3)12-17(20)28/h5-8,19,27H,9-12H2,1-4H3
InChIKey ZXOHIGJZYPUQQR-UHFFFAOYSA-N
Molecular Weight 437.459 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_11202
Solvent DMSO-d6
Source Vendor ID: NMR/10251677; Lab Info: SAS; Lab Number: SAS-tst3715
Temperature 29.85 °C