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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-phenoxyethyl ester

View entire compound with spectra: 1 NMR

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-phenoxyethyl ester
SpectraBase Compound ID 91r6uuPaeXw
InChI InChI=1S/C31H31NO6/c1-18-10-11-25-21(14-18)29(34)22(17-38-25)27-26(30(35)37-13-12-36-20-8-6-5-7-9-20)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 HLBAQWCWOBLWSR-UHFFFAOYSA-N
Mol Weight 513.59 g/mol
Molecular Formula C31H31NO6
Exact Mass 513.215138 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4uwRCcVUGmz
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-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 513.215137716 u
Formula C31H31NO6
InChI InChI=1S/C31H31NO6/c1-18-10-11-25-21(14-18)29(34)22(17-38-25)27-26(30(35)37-13-12-36-20-8-6-5-7-9-20)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 HLBAQWCWOBLWSR-UHFFFAOYSA-N
Molecular Weight 513.590 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_11281
Solvent DMSO-d6
Source Vendor ID: NMR/10252199; Lab Info: SAS; Lab Number: SAS-tst3810
Temperature 29.85 °C