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3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-, 2-(ethylthio)ethyl 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-[2-(trifluoromethyl)phenyl]-, 2-(ethylthio)ethyl ester
SpectraBase Compound ID DN4gZXKcyDG
InChI InChI=1S/C24H28F3NO3S/c1-5-32-11-10-31-22(30)19-14(2)28-17-12-23(3,4)13-18(29)21(17)20(19)15-8-6-7-9-16(15)24(25,26)27/h6-9,20,28H,5,10-13H2,1-4H3
InChIKey MZBCAXCLBYPBGE-UHFFFAOYSA-N
Mol Weight 467.55 g/mol
Molecular Formula C24H28F3NO3S
Exact Mass 467.174199 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 94jBlJV6uEX
Name 3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-, 2-(ethylthio)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 467.174199426 u
Formula C24H28F3NO3S
InChI InChI=1S/C24H28F3NO3S/c1-5-32-11-10-31-22(30)19-14(2)28-17-12-23(3,4)13-18(29)21(17)20(19)15-8-6-7-9-16(15)24(25,26)27/h6-9,20,28H,5,10-13H2,1-4H3
InChIKey MZBCAXCLBYPBGE-UHFFFAOYSA-N
Molecular Weight 467.547 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_11303
Solvent DMSO-d6
Source Vendor ID: NMR/10252235; Lab Info: SAS; Lab Number: SAS-tst3846
Temperature 29.85 °C