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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)-, 1-methylethyl ester

View entire compound with spectra: 1 NMR

3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-4-(4-oxo-4H-1-benzopyran-3-yl)-, 1-methylethyl ester
SpectraBase Compound ID AqweEivPfrn
InChI InChI=1S/C25H27NO5/c1-13(2)31-24(29)20-14(3)26-17-10-25(4,5)11-18(27)22(17)21(20)16-12-30-19-9-7-6-8-15(19)23(16)28/h6-9,12-13,21,26H,10-11H2,1-5H3
InChIKey XGKOGYWORGJOMD-UHFFFAOYSA-N
Mol Weight 421.49 g/mol
Molecular Formula C25H27NO5
Exact Mass 421.188923 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ku4wbFtI65G
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)-, 1-methylethyl 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 421.188922968 u
Formula C25H27NO5
InChI InChI=1S/C25H27NO5/c1-13(2)31-24(29)20-14(3)26-17-10-25(4,5)11-18(27)22(17)21(20)16-12-30-19-9-7-6-8-15(19)23(16)28/h6-9,12-13,21,26H,10-11H2,1-5H3
InChIKey XGKOGYWORGJOMD-UHFFFAOYSA-N
Molecular Weight 421.493 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_8246
Solvent DMSO-d6
Source Vendor ID: NMR/9254634; Lab Info: SAS; Lab Number: SAS-TST2168
Temperature 29.85 °C