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ethyl 2,7,7-trimethyl-5-oxo-4-(5-{[3-(trifluoromethyl)phenoxy]methyl}-2-furyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

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ethyl 2,7,7-trimethyl-5-oxo-4-(5-{[3-(trifluoromethyl)phenoxy]methyl}-2-furyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
SpectraBase Compound ID LbFMOfVjYqM
InChI InChI=1S/C27H28F3NO5/c1-5-34-25(33)22-15(2)31-19-12-26(3,4)13-20(32)23(19)24(22)21-10-9-18(36-21)14-35-17-8-6-7-16(11-17)27(28,29)30/h6-11,24,31H,5,12-14H2,1-4H3
InChIKey FIPWEHRDNPUBNI-UHFFFAOYSA-N
Mol Weight 503.52 g/mol
Molecular Formula C27H28F3NO5
Exact Mass 503.191957 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 48lR6Pr0muL
Name ethyl 2,7,7-trimethyl-5-oxo-4-(5-{[3-(trifluoromethyl)phenoxy]methyl}-2-furyl)-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/C27H28F3NO5/c1-5-34-25(33)22-15(2)31-19-12-26(3,4)13-20(32)23(19)24(22)21-10-9-18(36-21)14-35-17-8-6-7-16(11-17)27(28,29)30/h6-11,24,31H,5,12-14H2,1-4H3
InChIKey FIPWEHRDNPUBNI-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3035
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: 9313776; UBI_ID: UBI-003036
Temperature 315 °C