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ethyl 4-{3-[(3-chloro-4-fluorophenoxy)methyl]-4-methoxyphenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
SpectraBase Compound ID 88W3vMeMoWj
InChI InChI=1S/C27H27ClFNO5/c1-4-34-27(32)24-15(2)30-21-6-5-7-22(31)26(21)25(24)16-8-11-23(33-3)17(12-16)14-35-18-9-10-20(29)19(28)13-18/h8-13,25,30H,4-7,14H2,1-3H3
InChIKey MAQPPYLTTHWECM-UHFFFAOYSA-N
Mol Weight 499.97 g/mol
Molecular Formula C27H27ClFNO5
Exact Mass 499.156179 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2k8SuHrw54U
Name ethyl 4-{3-[(3-chloro-4-fluorophenoxy)methyl]-4-methoxyphenyl}-2-methyl-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/C27H27ClFNO5/c1-4-34-27(32)24-15(2)30-21-6-5-7-22(31)26(21)25(24)16-8-11-23(33-3)17(12-16)14-35-18-9-10-20(29)19(28)13-18/h8-13,25,30H,4-7,14H2,1-3H3
InChIKey MAQPPYLTTHWECM-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3476
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: 9315039; UBI_ID: UBI-003477
Temperature 308 °C