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

View entire compound with spectra: 1 NMR

3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-4-[4-(trifluoromethyl)phenyl]-, 1-methylpropyl ester
SpectraBase Compound ID 76f8PIJIL8N
InChI InChI=1S/C24H28F3NO3/c1-6-13(2)31-22(30)19-14(3)28-17-11-23(4,5)12-18(29)21(17)20(19)15-7-9-16(10-8-15)24(25,26)27/h7-10,13,20,28H,6,11-12H2,1-5H3
InChIKey IEZGPYRAYNHBCB-UHFFFAOYSA-N
Mol Weight 435.49 g/mol
Molecular Formula C24H28F3NO3
Exact Mass 435.202128 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6XNsseHxvfR
Name 3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-4-[4-(trifluoromethyl)phenyl]-, 1-methylpropyl 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 435.202128252 u
Formula C24H28F3NO3
InChI InChI=1S/C24H28F3NO3/c1-6-13(2)31-22(30)19-14(3)28-17-11-23(4,5)12-18(29)21(17)20(19)15-7-9-16(10-8-15)24(25,26)27/h7-10,13,20,28H,6,11-12H2,1-5H3
InChIKey IEZGPYRAYNHBCB-UHFFFAOYSA-N
Molecular Weight 435.487 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_11264
Solvent DMSO-d6
Source Vendor ID: NMR/10252176; Lab Info: SAS; Lab Number: SAS-tst3787
Temperature 29.85 °C