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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-methyl-5-oxo-, phenylmethyl ester

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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-methyl-5-oxo-, phenylmethyl ester
SpectraBase Compound ID D3x7VR6CHDk
InChI InChI=1S/C27H22ClNO5/c1-15-23(27(32)34-13-16-6-3-2-4-7-16)24(25-20(29-15)8-5-9-21(25)30)19-14-33-22-11-10-17(28)12-18(22)26(19)31/h2-4,6-7,10-12,14,24,29H,5,8-9,13H2,1H3
InChIKey FHJGOSHIILEXPP-UHFFFAOYSA-N
Mol Weight 475.93 g/mol
Molecular Formula C27H22ClNO5
Exact Mass 475.118651 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LqTixC99SFj
Name 3-quinolinecarboxylic acid, 4-(6-chloro-4-oxo-4H-1-benzopyran-3-yl)-1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-, phenylmethyl 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 475.118650507 u
Formula C27H22ClNO5
InChI InChI=1S/C27H22ClNO5/c1-15-23(27(32)34-13-16-6-3-2-4-7-16)24(25-20(29-15)8-5-9-21(25)30)19-14-33-22-11-10-17(28)12-18(22)26(19)31/h2-4,6-7,10-12,14,24,29H,5,8-9,13H2,1H3
InChIKey FHJGOSHIILEXPP-UHFFFAOYSA-N
Molecular Weight 475.928 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_11476
Solvent DMSO-d6
Source Vendor ID: NMR/10261471; Lab Info: SAS; Lab Number: SAS-tst3991
Temperature 23.85 °C