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3-quinolinecarboxylic acid, 4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-, 2-phenylethyl ester

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3-quinolinecarboxylic acid, 4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-, 2-phenylethyl ester
SpectraBase Compound ID 9CP7AlwaHZw
InChI InChI=1S/C29H32ClNO5/c1-5-35-23-14-19(13-20(30)27(23)33)25-24(28(34)36-12-11-18-9-7-6-8-10-18)17(2)31-21-15-29(3,4)16-22(32)26(21)25/h6-10,13-14,25,31,33H,5,11-12,15-16H2,1-4H3
InChIKey APYFMZFICPNNQH-UHFFFAOYSA-N
Mol Weight 510.0 g/mol
Molecular Formula C29H32ClNO5
Exact Mass 509.196901 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4SQBFwoOf2t
Name 3-quinolinecarboxylic acid, 4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-, 2-phenylethyl 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 509.196900829 u
Formula C29H32ClNO5
InChI InChI=1S/C29H32ClNO5/c1-5-35-23-14-19(13-20(30)27(23)33)25-24(28(34)36-12-11-18-9-7-6-8-10-18)17(2)31-21-15-29(3,4)16-22(32)26(21)25/h6-10,13-14,25,31,33H,5,11-12,15-16H2,1-4H3
InChIKey APYFMZFICPNNQH-UHFFFAOYSA-N
Molecular Weight 510.030 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_11214
Solvent DMSO-d6
Source Vendor ID: NMR/10251699; Lab Info: SAS; Lab Number: SAS-tst3739
Temperature 29.85 °C