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2-Ethylsulfanylethyl 4-(2-chloranyl-5-nitro-phenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate

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2-Ethylsulfanylethyl 4-(2-chloranyl-5-nitro-phenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate
SpectraBase Compound ID B7FZ0iaRAIZ
InChI InChI=1S/C23H27ClN2O5S/c1-5-32-9-8-31-22(28)19-13(2)25-17-11-23(3,4)12-18(27)21(17)20(19)15-10-14(26(29)30)6-7-16(15)24/h6-7,10,20,25H,5,8-9,11-12H2,1-4H3
InChIKey JGYOOFZCXSTRRS-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 5oA7WF3nkSX
Name 3-quinolinecarboxylic acid, 4-(2-chloro-5-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)25-17-11-23(3,4)12-18(27)21(17)20(19)15-10-14(26(29)30)6-7-16(15)24/h6-7,10,20,25H,5,8-9,11-12H2,1-4H3
InChIKey JGYOOFZCXSTRRS-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_4395
Solvent DMSO-d6
Source Vendor ID: NMR/9301594; Lab Info: SAS; Lab Number: SAS-tst3052
Temperature 29.85 °C