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2-amino-4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-5,6,7,8-tetrahydro-3-quinolinecarbonitrile
SpectraBase Compound ID 7EywFDslzmZ
InChI InChI=1S/C25H22F3N3O2/c1-32-22-10-9-15(23-19-7-2-3-8-21(19)31-24(30)20(23)13-29)11-16(22)14-33-18-6-4-5-17(12-18)25(26,27)28/h4-6,9-12H,2-3,7-8,14H2,1H3,(H2,30,31)
InChIKey KIQOSPREKPWOGJ-UHFFFAOYSA-N
Mol Weight 453.47 g/mol
Molecular Formula C25H22F3N3O2
Exact Mass 453.166411 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID B9Q99rqoras
Name 2-amino-4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-5,6,7,8-tetrahydro-3-quinolinecarbonitrile
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/C25H22F3N3O2/c1-32-22-10-9-15(23-19-7-2-3-8-21(19)31-24(30)20(23)13-29)11-16(22)14-33-18-6-4-5-17(12-18)25(26,27)28/h4-6,9-12H,2-3,7-8,14H2,1H3,(H2,30,31)
InChIKey KIQOSPREKPWOGJ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_7281
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: 9686051; UBI_ID: UBI-007284
Temperature 318 °C