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2-amino-4-(3-methoxy-4-{[3-(trifluoromethyl)benzyl]oxy}phenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile

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2-amino-4-(3-methoxy-4-{[3-(trifluoromethyl)benzyl]oxy}phenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
SpectraBase Compound ID 692TqrJVhdd
InChI InChI=1S/C26H24F3N3O2/c1-33-23-13-17(24-19-8-3-2-4-9-21(19)32-25(31)20(24)14-30)10-11-22(23)34-15-16-6-5-7-18(12-16)26(27,28)29/h5-7,10-13H,2-4,8-9,15H2,1H3,(H2,31,32)
InChIKey KQILXJSFARCNMF-UHFFFAOYSA-N
Mol Weight 467.49 g/mol
Molecular Formula C26H24F3N3O2
Exact Mass 467.182062 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4DdIjLRSygO
Name 2-amino-4-(3-methoxy-4-{[3-(trifluoromethyl)benzyl]oxy}phenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
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/C26H24F3N3O2/c1-33-23-13-17(24-19-8-3-2-4-9-21(19)32-25(31)20(24)14-30)10-11-22(23)34-15-16-6-5-7-18(12-16)26(27,28)29/h5-7,10-13H,2-4,8-9,15H2,1H3,(H2,31,32)
InChIKey KQILXJSFARCNMF-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_12514
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/9122643; UBI_ID: UBI-012517
Temperature 313 °C