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2-Methyl-4-(5-methyl-2-thiophenyl)-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester

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2-Methyl-4-(5-methyl-2-thiophenyl)-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester
SpectraBase Compound ID 3sxjAwiRBhI
InChI InChI=1S/C21H21NO3S2/c1-11-6-7-17(27-11)20-18(21(24)25-3)12(2)22-14-9-13(10-15(23)19(14)20)16-5-4-8-26-16/h4-8,13,20,22H,9-10H2,1-3H3
InChIKey LCKHTSLEPQBFHG-UHFFFAOYSA-N
Mol Weight 399.52 g/mol
Molecular Formula C21H21NO3S2
Exact Mass 399.096286 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID E3avHK7LiZX
Name 3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2-methyl-4-(5-methyl-2-thienyl)-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 399.096285885 u
Formula C21H21NO3S2
InChI InChI=1S/C21H21NO3S2/c1-11-6-7-17(27-11)20-18(21(24)25-3)12(2)22-14-9-13(10-15(23)19(14)20)16-5-4-8-26-16/h4-8,13,20,22H,9-10H2,1-3H3
InChIKey LCKHTSLEPQBFHG-UHFFFAOYSA-N
Molecular Weight 399.523 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_8874
Solvent DMSO-d6
Source Vendor ID: NMR/10230943; Lab Info: SAS; Lab Number: SAS-tst3605
Temperature 23.85 °C