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3-quinolinecarboxylic acid, 4-(2-chlorophenyl)-1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-, butyl ester
SpectraBase Compound ID 7dfS2wxXJwh
InChI InChI=1S/C23H28ClNO3/c1-5-6-11-28-22(27)19-14(2)25-17-12-23(3,4)13-18(26)21(17)20(19)15-9-7-8-10-16(15)24/h7-10,20,25H,5-6,11-13H2,1-4H3
InChIKey LLKCXZSQOUEMGQ-UHFFFAOYSA-N
Mol Weight 401.93 g/mol
Molecular Formula C23H28ClNO3
Exact Mass 401.175771 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3LV3lcN38W8
Name 3-quinolinecarboxylic acid, 4-(2-chlorophenyl)-1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-, butyl 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/C23H28ClNO3/c1-5-6-11-28-22(27)19-14(2)25-17-12-23(3,4)13-18(26)21(17)20(19)15-9-7-8-10-16(15)24/h7-10,20,25H,5-6,11-13H2,1-4H3
InChIKey LLKCXZSQOUEMGQ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_218
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/11249969