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methyl 4-{3-[(2-chloro-4-fluorophenoxy)methyl]-4-methoxyphenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
SpectraBase Compound ID 1gXQxPBX8eu
InChI InChI=1S/C28H29ClFNO5/c1-15-24(27(33)35-5)25(26-20(31-15)12-28(2,3)13-21(26)32)16-6-8-22(34-4)17(10-16)14-36-23-9-7-18(30)11-19(23)29/h6-11,25,31H,12-14H2,1-5H3
InChIKey DFKQANPMKPDSLF-UHFFFAOYSA-N
Mol Weight 513.99 g/mol
Molecular Formula C28H29ClFNO5
Exact Mass 513.171829 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EZ0xxQAoeLK
Name methyl 4-{3-[(2-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/C28H29ClFNO5/c1-15-24(27(33)35-5)25(26-20(31-15)12-28(2,3)13-21(26)32)16-6-8-22(34-4)17(10-16)14-36-23-9-7-18(30)11-19(23)29/h6-11,25,31H,12-14H2,1-5H3
InChIKey DFKQANPMKPDSLF-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_4594
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: 9682489; UBI_ID: UBI-004595
Temperature 308 °C