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3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-4-(6-methyl-4-oxo-4H-1-benzopyran-3-yl)-5-oxo-, 2-phenylethyl ester

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3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-4-(6-methyl-4-oxo-4H-1-benzopyran-3-yl)-5-oxo-, 2-phenylethyl ester
SpectraBase Compound ID Alv9oTXfZ49
InChI InChI=1S/C31H31NO5/c1-18-10-11-25-21(14-18)29(34)22(17-37-25)27-26(30(35)36-13-12-20-8-6-5-7-9-20)19(2)32-23-15-31(3,4)16-24(33)28(23)27/h5-11,14,17,27,32H,12-13,15-16H2,1-4H3
InChIKey IXKFSBNKDQVWAY-UHFFFAOYSA-N
Mol Weight 497.59 g/mol
Molecular Formula C31H31NO5
Exact Mass 497.220223 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7Wyr6YBFcvj
Name 3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-4-(6-methyl-4-oxo-4H-1-benzopyran-3-yl)-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 497.220223097 u
Formula C31H31NO5
InChI InChI=1S/C31H31NO5/c1-18-10-11-25-21(14-18)29(34)22(17-37-25)27-26(30(35)36-13-12-20-8-6-5-7-9-20)19(2)32-23-15-31(3,4)16-24(33)28(23)27/h5-11,14,17,27,32H,12-13,15-16H2,1-4H3
InChIKey IXKFSBNKDQVWAY-UHFFFAOYSA-N
Molecular Weight 497.591 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_6797
Solvent DMSO-d6
Source Vendor ID: NMR/10220451; Lab Info: SAS; Lab Number: SAS-tst3448
Temperature 29.85 °C