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3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-4-(4-methylphenyl)-5-oxo-, 2-phenylethyl ester
SpectraBase Compound ID 4kvwr6VcvC6
InChI InChI=1S/C28H31NO3/c1-18-10-12-21(13-11-18)25-24(27(31)32-15-14-20-8-6-5-7-9-20)19(2)29-22-16-28(3,4)17-23(30)26(22)25/h5-13,25,29H,14-17H2,1-4H3
InChIKey AAZBNMRMPZSCQJ-UHFFFAOYSA-N
Mol Weight 429.56 g/mol
Molecular Formula C28H31NO3
Exact Mass 429.230394 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LmwJmWOdEKQ
Name 3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-4-(4-methylphenyl)-5-oxo-, 2-phenylethyl 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/C28H31NO3/c1-18-10-12-21(13-11-18)25-24(27(31)32-15-14-20-8-6-5-7-9-20)19(2)29-22-16-28(3,4)17-23(30)26(22)25/h5-13,25,29H,14-17H2,1-4H3
InChIKey AAZBNMRMPZSCQJ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_329
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/11258030