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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)-, 2-phenoxyethyl 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)-, 2-phenoxyethyl ester
SpectraBase Compound ID 994SPCnmNbq
InChI InChI=1S/C30H29NO6/c1-18-25(29(34)36-14-13-35-19-9-5-4-6-10-19)26(27-22(31-18)15-30(2,3)16-23(27)32)21-17-37-24-12-8-7-11-20(24)28(21)33/h4-12,17,26,31H,13-16H2,1-3H3
InChIKey SWYKVESLABFPSL-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 6SjtmSjgvaQ
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)-, 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 499.199487652 u
Formula C30H29NO6
InChI InChI=1S/C30H29NO6/c1-18-25(29(34)36-14-13-35-19-9-5-4-6-10-19)26(27-22(31-18)15-30(2,3)16-23(27)32)21-17-37-24-12-8-7-11-20(24)28(21)33/h4-12,17,26,31H,13-16H2,1-3H3
InChIKey SWYKVESLABFPSL-UHFFFAOYSA-N
Molecular Weight 499.563 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_3988
Solvent DMSO-d6
Source Vendor ID: NMR/9264303; Lab Info: SAS; Lab Number: SAS-TST3019
Temperature 29.85 °C