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

View entire compound with spectra: 1 NMR

3-quinolinecarboxylic acid, 4-(3-fluorophenyl)-1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-, (4-methoxyphenyl)methyl ester
SpectraBase Compound ID BF3231AYnsA
InChI InChI=1S/C27H28FNO4/c1-16-23(26(31)33-15-17-8-10-20(32-4)11-9-17)24(18-6-5-7-19(28)12-18)25-21(29-16)13-27(2,3)14-22(25)30/h5-12,24,29H,13-15H2,1-4H3
InChIKey NOCCFNHRVZGIOG-UHFFFAOYSA-N
Mol Weight 449.52 g/mol
Molecular Formula C27H28FNO4
Exact Mass 449.200237 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HBwcOCq52Bc
Name 3-quinolinecarboxylic acid, 4-(3-fluorophenyl)-1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-, (4-methoxyphenyl)methyl ester
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C27H28FNO4/c1-16-23(26(31)33-15-17-8-10-20(32-4)11-9-17)24(18-6-5-7-19(28)12-18)25-21(29-16)13-27(2,3)14-22(25)30/h5-12,24,29H,13-15H2,1-4H3
InChIKey NOCCFNHRVZGIOG-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_485
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: NMR/11258267