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methyl 4-{5-bromo-2-[(3-fluorobenzyl)oxy]phenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
SpectraBase Compound ID 8Q239Q93Ymo
InChI InChI=1S/C27H27BrFNO4/c1-15-23(26(32)33-4)24(25-20(30-15)12-27(2,3)13-21(25)31)19-11-17(28)8-9-22(19)34-14-16-6-5-7-18(29)10-16/h5-11,24,30H,12-14H2,1-4H3
InChIKey XGEYUAFDWGSXEH-UHFFFAOYSA-N
Mol Weight 528.42 g/mol
Molecular Formula C27H27BrFNO4
Exact Mass 527.11075 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FzVs39dhsfw
Name methyl 4-{5-bromo-2-[(3-fluorobenzyl)oxy]phenyl}-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/C27H27BrFNO4/c1-15-23(26(32)33-4)24(25-20(30-15)12-27(2,3)13-21(25)31)19-11-17(28)8-9-22(19)34-14-16-6-5-7-18(29)10-16/h5-11,24,30H,12-14H2,1-4H3
InChIKey XGEYUAFDWGSXEH-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_18289
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: UZI/1029222; Labnumber: TSI4021; UZI_ID: UZI-018296
Temperature 318 °C