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

View entire compound with spectra: 1 NMR

3-quinolinecarboxylic acid, 4-(4-chloro-3-nitrophenyl)-1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-, 2-phenoxyethyl ester
SpectraBase Compound ID KQ2RI9He9Fe
InChI InChI=1S/C27H27ClN2O6/c1-16-23(26(32)36-12-11-35-18-7-5-4-6-8-18)24(17-9-10-19(28)21(13-17)30(33)34)25-20(29-16)14-27(2,3)15-22(25)31/h4-10,13,24,29H,11-12,14-15H2,1-3H3
InChIKey MUSRLJGAPTWXKT-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 7CtZwErp9zn
Name 3-quinolinecarboxylic acid, 4-(4-chloro-3-nitrophenyl)-1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-, 2-phenoxyethyl 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 510.155764291 u
Formula C27H27ClN2O6
InChI InChI=1S/C27H27ClN2O6/c1-16-23(26(32)36-12-11-35-18-7-5-4-6-8-18)24(17-9-10-19(28)21(13-17)30(33)34)25-20(29-16)14-27(2,3)15-22(25)31/h4-10,13,24,29H,11-12,14-15H2,1-3H3
InChIKey MUSRLJGAPTWXKT-UHFFFAOYSA-N
Molecular Weight 510.974 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_11275
Solvent DMSO-d6
Source Vendor ID: NMR/10252193; Lab Info: SAS; Lab Number: SAS-tst3804
Temperature 29.85 °C