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3-quinolinecarboxylic acid, 4-[4-(dimethylamino)phenyl]-1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-, 2-phenylethyl ester

View entire compound with spectra: 1 NMR

3-quinolinecarboxylic acid, 4-[4-(dimethylamino)phenyl]-1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-, 2-phenylethyl ester
SpectraBase Compound ID HlAUUilQYSU
InChI InChI=1S/C29H34N2O3/c1-19-25(28(33)34-16-15-20-9-7-6-8-10-20)26(21-11-13-22(14-12-21)31(4)5)27-23(30-19)17-29(2,3)18-24(27)32/h6-14,26,30H,15-18H2,1-5H3
InChIKey BCKHTYRGNANSPX-UHFFFAOYSA-N
Mol Weight 458.6 g/mol
Molecular Formula C29H34N2O3
Exact Mass 458.256943 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID E3hVGCm1T39
Name 3-quinolinecarboxylic acid, 4-[4-(dimethylamino)phenyl]-1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-, 2-phenylethyl 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 458.256942960 u
Formula C29H34N2O3
InChI InChI=1S/C29H34N2O3/c1-19-25(28(33)34-16-15-20-9-7-6-8-10-20)26(21-11-13-22(14-12-21)31(4)5)27-23(30-19)17-29(2,3)18-24(27)32/h6-14,26,30H,15-18H2,1-5H3
InChIKey BCKHTYRGNANSPX-UHFFFAOYSA-N
Molecular Weight 458.602 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_6017
Solvent DMSO-d6
Source Vendor ID: NMR/10211660; Lab Info: SAS; Lab Number: SAS-tst3342