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3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-4-(3-methylphenyl)-5-oxo-, (4-methoxyphenyl)methyl ester

View entire compound with spectra: 1 NMR

3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-4-(3-methylphenyl)-5-oxo-, (4-methoxyphenyl)methyl ester
SpectraBase Compound ID KixWOJvPxwT
InChI InChI=1S/C28H31NO4/c1-17-7-6-8-20(13-17)25-24(27(31)33-16-19-9-11-21(32-5)12-10-19)18(2)29-22-14-28(3,4)15-23(30)26(22)25/h6-13,25,29H,14-16H2,1-5H3
InChIKey PCUDZKQAQSCLPO-UHFFFAOYSA-N
Mol Weight 445.56 g/mol
Molecular Formula C28H31NO4
Exact Mass 445.225308 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID K4Kew6qrfdf
Name 3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-4-(3-methylphenyl)-5-oxo-, (4-methoxyphenyl)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 445.225308478 u
Formula C28H31NO4
InChI InChI=1S/C28H31NO4/c1-17-7-6-8-20(13-17)25-24(27(31)33-16-19-9-11-21(32-5)12-10-19)18(2)29-22-14-28(3,4)15-23(30)26(22)25/h6-13,25,29H,14-16H2,1-5H3
InChIKey PCUDZKQAQSCLPO-UHFFFAOYSA-N
Molecular Weight 445.559 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_6765
Solvent DMSO-d6
Source Vendor ID: NMR/10220395; Lab Info: SAS; Lab Number: SAS-tst3389