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3-quinolinecarboxylic acid, 4-(2-chloro-5-nitrophenyl)-1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-, 2-phenoxyethyl ester

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3-quinolinecarboxylic acid, 4-(2-chloro-5-nitrophenyl)-1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-, 2-phenoxyethyl ester
SpectraBase Compound ID 48hNtC5QRwv
InChI InChI=1S/C27H27ClN2O6/c1-16-23(26(32)36-12-11-35-18-7-5-4-6-8-18)24(19-13-17(30(33)34)9-10-20(19)28)25-21(29-16)14-27(2,3)15-22(25)31/h4-10,13,24,29H,11-12,14-15H2,1-3H3
InChIKey KYJJDDDZQKACER-UHFFFAOYSA-N
Mol Weight 510.97 g/mol
Molecular Formula C27H27ClN2O6
Exact Mass 510.155764 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KTiwc3DenYV
Name 3-quinolinecarboxylic acid, 4-(2-chloro-5-nitrophenyl)-1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-, 2-phenoxyethyl 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/C27H27ClN2O6/c1-16-23(26(32)36-12-11-35-18-7-5-4-6-8-18)24(19-13-17(30(33)34)9-10-20(19)28)25-21(29-16)14-27(2,3)15-22(25)31/h4-10,13,24,29H,11-12,14-15H2,1-3H3
InChIKey KYJJDDDZQKACER-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_CB_8313_6246
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/10252215; Labnumber: SAS-tst3826
Temperature 303 °C