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2-Ethylsulfanylethyl 4-(5-bromanyl-2-methoxy-phenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

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2-Ethylsulfanylethyl 4-(5-bromanyl-2-methoxy-phenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SpectraBase Compound ID IXq1MqtMZ8d
InChI InChI=1S/C22H26BrNO4S/c1-4-29-11-10-28-22(26)19-13(2)24-16-6-5-7-17(25)21(16)20(19)15-12-14(23)8-9-18(15)27-3/h8-9,12,20,24H,4-7,10-11H2,1-3H3
InChIKey AWTISMPWJCKFAF-UHFFFAOYSA-N
Mol Weight 480.42 g/mol
Molecular Formula C22H26BrNO4S
Exact Mass 479.076592 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IclnZXYcRMQ
Name 3-quinolinecarboxylic acid, 4-(5-bromo-2-methoxyphenyl)-1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-, 2-(ethylthio)ethyl ester
Copyright Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 479.076592491 u
Formula C22H26BrNO4S
InChI InChI=1S/C22H26BrNO4S/c1-4-29-11-10-28-22(26)19-13(2)24-16-6-5-7-17(25)21(16)20(19)15-12-14(23)8-9-18(15)27-3/h8-9,12,20,24H,4-7,10-11H2,1-3H3
InChIKey AWTISMPWJCKFAF-UHFFFAOYSA-N
Molecular Weight 480.417 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_6770
Solvent DMSO-d6
Source Vendor ID: NMR/10220410; Lab Info: SAS; Lab Number: SAS-tst3404