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3-quinolinecarboxylic acid, 4-[4-(acetyloxy)-3-methoxyphenyl]-1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-7-phenyl-, ethyl ester
SpectraBase Compound ID Lb2n0c7XfIK
InChI InChI=1S/C28H29NO6/c1-5-34-28(32)25-16(2)29-21-13-20(18-9-7-6-8-10-18)14-22(31)27(21)26(25)19-11-12-23(35-17(3)30)24(15-19)33-4/h6-12,15,20,26,29H,5,13-14H2,1-4H3
InChIKey JETRVMCEHPSUHM-UHFFFAOYSA-N
Mol Weight 475.54 g/mol
Molecular Formula C28H29NO6
Exact Mass 475.199488 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EIBwKTFb4tq
Name 3-quinolinecarboxylic acid, 4-[4-(acetyloxy)-3-methoxyphenyl]-1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-7-phenyl-, ethyl 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 475.199487652 u
Formula C28H29NO6
InChI InChI=1S/C28H29NO6/c1-5-34-28(32)25-16(2)29-21-13-20(18-9-7-6-8-10-18)14-22(31)27(21)26(25)19-11-12-23(35-17(3)30)24(15-19)33-4/h6-12,15,20,26,29H,5,13-14H2,1-4H3
InChIKey JETRVMCEHPSUHM-UHFFFAOYSA-N
Molecular Weight 475.541 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_762
Solvent DMSO-d6
Source Vendor ID: ZI/8107231; Lab Info: SAS; Lab Number: SAS-nw11456
Temperature 29.85 °C