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ethyl 4-{3-[(2-chloro-4-fluorophenoxy)methyl]-4-methoxyphenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
SpectraBase Compound ID 3aKxNyf1Enb
InChI InChI=1S/C27H27ClFNO5/c1-4-34-27(32)24-15(2)30-20-6-5-7-21(31)26(20)25(24)16-8-10-22(33-3)17(12-16)14-35-23-11-9-18(29)13-19(23)28/h8-13,25,30H,4-7,14H2,1-3H3
InChIKey POOOOZLYSPZRFX-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 8VVolbcOZS
Name ethyl 4-{3-[(2-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)30-20-6-5-7-21(31)26(20)25(24)16-8-10-22(33-3)17(12-16)14-35-23-11-9-18(29)13-19(23)28/h8-13,25,30H,4-7,14H2,1-3H3
InChIKey POOOOZLYSPZRFX-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_4597
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: 9684556; UBI_ID: UBI-004598
Temperature 308 °C