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3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-4-(4-hydroxy-3-nitrophenyl)-2-methyl-5-oxo-7-(2-thienyl)-, methyl ester

View entire compound with spectra: 1 NMR

3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-4-(4-hydroxy-3-nitrophenyl)-2-methyl-5-oxo-7-(2-thienyl)-, methyl ester
SpectraBase Compound ID 6laYgVQYX1X
InChI InChI=1S/C22H20N2O6S/c1-11-19(22(27)30-2)20(12-5-6-16(25)15(9-12)24(28)29)21-14(23-11)8-13(10-17(21)26)18-4-3-7-31-18/h3-7,9,13,20,23,25H,8,10H2,1-2H3
InChIKey VRJLBKZUTZGPAS-UHFFFAOYSA-N
Mol Weight 440.47 g/mol
Molecular Formula C22H20N2O6S
Exact Mass 440.104208 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CHTwRh5AXcS
Name 3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-4-(4-hydroxy-3-nitrophenyl)-2-methyl-5-oxo-7-(2-thienyl)-, methyl 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 440.104207540 u
Formula C22H20N2O6S
InChI InChI=1S/C22H20N2O6S/c1-11-19(22(27)30-2)20(12-5-6-16(25)15(9-12)24(28)29)21-14(23-11)8-13(10-17(21)26)18-4-3-7-31-18/h3-7,9,13,20,23,25H,8,10H2,1-2H3
InChIKey VRJLBKZUTZGPAS-UHFFFAOYSA-N
Molecular Weight 440.470 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_11484
Solvent DMSO-d6
Source Vendor ID: NMR/10261483; Lab Info: SAS; Lab Number: SAS-tst4003
Temperature 23.85 °C