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

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3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-4-(4-oxo-4H-1-benzopyran-3-yl)-, (4-methoxyphenyl)methyl ester
SpectraBase Compound ID IS9itePfIvd
InChI InChI=1S/C30H29NO6/c1-17-25(29(34)37-15-18-9-11-19(35-4)12-10-18)26(27-22(31-17)13-30(2,3)14-23(27)32)21-16-36-24-8-6-5-7-20(24)28(21)33/h5-12,16,26,31H,13-15H2,1-4H3
InChIKey XTSKSCGALPXUKH-UHFFFAOYSA-N
Mol Weight 499.56 g/mol
Molecular Formula C30H29NO6
Exact Mass 499.199488 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BeU3ieWIEWT
Name 3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-4-(4-oxo-4H-1-benzopyran-3-yl)-, (4-methoxyphenyl)methyl 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/C30H29NO6/c1-17-25(29(34)37-15-18-9-11-19(35-4)12-10-18)26(27-22(31-17)13-30(2,3)14-23(27)32)21-16-36-24-8-6-5-7-20(24)28(21)33/h5-12,16,26,31H,13-15H2,1-4H3
InChIKey XTSKSCGALPXUKH-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_CB_8313_2538
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/9254623; Labnumber: SAS-TST2157
Temperature 303 °C