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ethyl 4-{4-methoxy-3-[(2,3,4,5,6-pentafluorophenoxy)methyl]phenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

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ethyl 4-{4-methoxy-3-[(2,3,4,5,6-pentafluorophenoxy)methyl]phenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
SpectraBase Compound ID GKJwjZNonmQ
InChI InChI=1S/C29H28F5NO5/c1-6-39-28(37)19-13(2)35-16-10-29(3,4)11-17(36)21(16)20(19)14-7-8-18(38-5)15(9-14)12-40-27-25(33)23(31)22(30)24(32)26(27)34/h7-9,20,35H,6,10-12H2,1-5H3
InChIKey QCGPJDJUBULEND-UHFFFAOYSA-N
Mol Weight 565.54 g/mol
Molecular Formula C29H28F5NO5
Exact Mass 565.188764 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Jh7NYeLzugy
Name ethyl 4-{4-methoxy-3-[(2,3,4,5,6-pentafluorophenoxy)methyl]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/C29H28F5NO5/c1-6-39-28(37)19-13(2)35-16-10-29(3,4)11-17(36)21(16)20(19)14-7-8-18(38-5)15(9-14)12-40-27-25(33)23(31)22(30)24(32)26(27)34/h7-9,20,35H,6,10-12H2,1-5H3
InChIKey QCGPJDJUBULEND-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_12706
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/9124627; UBI_ID: UBI-012709
Temperature 318 °C