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

View entire compound with spectra: 1 NMR

3-quinolinecarboxylic acid, 4-(1,3-benzodioxol-5-yl)-7-(4-chlorophenyl)-1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-, methyl ester
SpectraBase Compound ID 44k3TqKj023
InChI InChI=1S/C25H22ClNO5/c1-13-22(25(29)30-2)23(15-5-8-20-21(11-15)32-12-31-20)24-18(27-13)9-16(10-19(24)28)14-3-6-17(26)7-4-14/h3-8,11,16,23,27H,9-10,12H2,1-2H3
InChIKey QTTISCKOEKCILQ-UHFFFAOYSA-N
Mol Weight 451.91 g/mol
Molecular Formula C25H22ClNO5
Exact Mass 451.118651 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DhcjJEALffe
Name 3-quinolinecarboxylic acid, 4-(1,3-benzodioxol-5-yl)-7-(4-chlorophenyl)-1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-, 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 451.118650507 u
Formula C25H22ClNO5
InChI InChI=1S/C25H22ClNO5/c1-13-22(25(29)30-2)23(15-5-8-20-21(11-15)32-12-31-20)24-18(27-13)9-16(10-19(24)28)14-3-6-17(26)7-4-14/h3-8,11,16,23,27H,9-10,12H2,1-2H3
InChIKey QTTISCKOEKCILQ-UHFFFAOYSA-N
Molecular Weight 451.906 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_874
Solvent DMSO-d6
Source Vendor ID: ZI/8120811; Lab Info: SAS; Lab Number: SAS-nw12644