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ethyl 4-{3-[(3-chloro-4-fluorophenoxy)methyl]-4-methoxyphenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
SpectraBase Compound ID 1NuD3lMZwBw
InChI InChI=1S/C29H31ClFNO5/c1-6-36-28(34)25-16(2)32-22-13-29(3,4)14-23(33)27(22)26(25)17-7-10-24(35-5)18(11-17)15-37-19-8-9-21(31)20(30)12-19/h7-12,26,32H,6,13-15H2,1-5H3
InChIKey GLRGSIKCQPPOFR-UHFFFAOYSA-N
Mol Weight 528.02 g/mol
Molecular Formula C29H31ClFNO5
Exact Mass 527.187479 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EzvvhcsQEj2
Name ethyl 4-{3-[(3-chloro-4-fluorophenoxy)methyl]-4-methoxyphenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C29H31ClFNO5/c1-6-36-28(34)25-16(2)32-22-13-29(3,4)14-23(33)27(22)26(25)17-7-10-24(35-5)18(11-17)15-37-19-8-9-21(31)20(30)12-19/h7-12,26,32H,6,13-15H2,1-5H3
InChIKey GLRGSIKCQPPOFR-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3468
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: 9314536; UBI_ID: UBI-003469
Temperature 308 °C