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3-quinolinecarboxylic acid, 4-(4-chloro-3-nitrophenyl)-1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-, 2-(ethylthio)ethyl ester

View entire compound with spectra: 1 NMR

3-quinolinecarboxylic acid, 4-(4-chloro-3-nitrophenyl)-1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-, 2-(ethylthio)ethyl ester
SpectraBase Compound ID DrWoRTnmC5w
InChI InChI=1S/C23H27ClN2O5S/c1-5-32-9-8-31-22(28)19-13(2)25-16-11-23(3,4)12-18(27)21(16)20(19)14-6-7-15(24)17(10-14)26(29)30/h6-7,10,20,25H,5,8-9,11-12H2,1-4H3
InChIKey BRHFBVBCWRYZTH-UHFFFAOYSA-N
Mol Weight 478.99 g/mol
Molecular Formula C23H27ClN2O5S
Exact Mass 478.132921 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6kKcORubcqM
Name 3-quinolinecarboxylic acid, 4-(4-chloro-3-nitrophenyl)-1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-, 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 478.132920846 u
Formula C23H27ClN2O5S
InChI InChI=1S/C23H27ClN2O5S/c1-5-32-9-8-31-22(28)19-13(2)25-16-11-23(3,4)12-18(27)21(16)20(19)14-6-7-15(24)17(10-14)26(29)30/h6-7,10,20,25H,5,8-9,11-12H2,1-4H3
InChIKey BRHFBVBCWRYZTH-UHFFFAOYSA-N
Molecular Weight 478.991 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_11386
Solvent DMSO-d6
Source Vendor ID: NMR/10261395; Lab Info: SAS; Lab Number: SAS-tst3973
Temperature 23.85 °C