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methyl 4-{3-[(3-chloro-4-fluorophenoxy)methyl]-4-methoxyphenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

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methyl 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 FR0n1mKgfuZ
InChI InChI=1S/C28H29ClFNO5/c1-15-24(27(33)35-5)25(26-21(31-15)12-28(2,3)13-22(26)32)16-6-9-23(34-4)17(10-16)14-36-18-7-8-20(30)19(29)11-18/h6-11,25,31H,12-14H2,1-5H3
InChIKey ORXKFILONVNSBH-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 LmzONj8pm5z
Name methyl 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/C28H29ClFNO5/c1-15-24(27(33)35-5)25(26-21(31-15)12-28(2,3)13-22(26)32)16-6-9-23(34-4)17(10-16)14-36-18-7-8-20(30)19(29)11-18/h6-11,25,31H,12-14H2,1-5H3
InChIKey ORXKFILONVNSBH-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3470
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: 9314576; UBI_ID: UBI-003471
Temperature 308 °C