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3-quinolinecarboxylic acid, 4-(6-bromo-1,3-benzodioxol-5-yl)-1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-, 2-(ethylthio)ethyl ester

View entire compound with spectra: 1 NMR

3-quinolinecarboxylic acid, 4-(6-bromo-1,3-benzodioxol-5-yl)-1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-, 2-(ethylthio)ethyl ester
SpectraBase Compound ID J8RxMIHP1jH
InChI InChI=1S/C22H24BrNO5S/c1-3-30-8-7-27-22(26)19-12(2)24-15-5-4-6-16(25)21(15)20(19)13-9-17-18(10-14(13)23)29-11-28-17/h9-10,20,24H,3-8,11H2,1-2H3
InChIKey LDZVTZLZSOIBCS-UHFFFAOYSA-N
Mol Weight 494.4 g/mol
Molecular Formula C22H24BrNO5S
Exact Mass 493.055857 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IlysDZz4hZ1
Name 3-quinolinecarboxylic acid, 4-(6-bromo-1,3-benzodioxol-5-yl)-1,4,5,6,7,8-hexahydro-2-methyl-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 493.055857046 u
Formula C22H24BrNO5S
InChI InChI=1S/C22H24BrNO5S/c1-3-30-8-7-27-22(26)19-12(2)24-15-5-4-6-16(25)21(15)20(19)13-9-17-18(10-14(13)23)29-11-28-17/h9-10,20,24H,3-8,11H2,1-2H3
InChIKey LDZVTZLZSOIBCS-UHFFFAOYSA-N
Molecular Weight 494.400 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_863
Solvent DMSO-d6
Source Vendor ID: ZI/8100298; Lab Info: SAS; Lab Number: SAS-0050586