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

View entire compound with spectra: 1 NMR

3-quinolinecarboxylic acid, 4-(6-chloro-4-oxo-4H-1-benzopyran-3-yl)-1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-, 2-phenylethyl ester
SpectraBase Compound ID H5fkRWjbtK1
InChI InChI=1S/C30H28ClNO5/c1-17-25(29(35)36-12-11-18-7-5-4-6-8-18)26(27-22(32-17)14-30(2,3)15-23(27)33)21-16-37-24-10-9-19(31)13-20(24)28(21)34/h4-10,13,16,26,32H,11-12,14-15H2,1-3H3
InChIKey VUFUHKILPSQTCU-UHFFFAOYSA-N
Mol Weight 518.01 g/mol
Molecular Formula C30H28ClNO5
Exact Mass 517.165601 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2kgu6vK5iye
Name 3-quinolinecarboxylic acid, 4-(6-chloro-4-oxo-4H-1-benzopyran-3-yl)-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 517.165600701 u
Formula C30H28ClNO5
InChI InChI=1S/C30H28ClNO5/c1-17-25(29(35)36-12-11-18-7-5-4-6-8-18)26(27-22(32-17)14-30(2,3)15-23(27)33)21-16-37-24-10-9-19(31)13-20(24)28(21)34/h4-10,13,16,26,32H,11-12,14-15H2,1-3H3
InChIKey VUFUHKILPSQTCU-UHFFFAOYSA-N
Molecular Weight 518.009 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_8244
Solvent DMSO-d6
Source Vendor ID: NMR/9254628; Lab Info: SAS; Lab Number: SAS-TST2162
Temperature 29.85 °C