For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-4-(6-methyl-4-oxo-4H-1-benzopyran-3-yl)-5-oxo-, 1-methylethyl ester
SpectraBase Compound ID 1q7gC3LVqqe
InChI InChI=1S/C26H29NO5/c1-13(2)32-25(30)21-15(4)27-18-10-26(5,6)11-19(28)23(18)22(21)17-12-31-20-8-7-14(3)9-16(20)24(17)29/h7-9,12-13,22,27H,10-11H2,1-6H3
InChIKey WLQKXNWRJSCCFV-UHFFFAOYSA-N
Mol Weight 435.52 g/mol
Molecular Formula C26H29NO5
Exact Mass 435.204573 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 4IDGtNkJrvk
Name 3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-4-(6-methyl-4-oxo-4H-1-benzopyran-3-yl)-5-oxo-, 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 435.204573033 u
Formula C26H29NO5
InChI InChI=1S/C26H29NO5/c1-13(2)32-25(30)21-15(4)27-18-10-26(5,6)11-19(28)23(18)22(21)17-12-31-20-8-7-14(3)9-16(20)24(17)29/h7-9,12-13,22,27H,10-11H2,1-6H3
InChIKey WLQKXNWRJSCCFV-UHFFFAOYSA-N
Molecular Weight 435.520 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_11261
Solvent DMSO-d6
Source Vendor ID: NMR/10252171; Lab Info: SAS; Lab Number: SAS-tst3782
Temperature 29.85 °C