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2-amino-4-{3-[(3-chloro-4-fluorophenoxy)methyl]-4-methoxyphenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile

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2-amino-4-{3-[(3-chloro-4-fluorophenoxy)methyl]-4-methoxyphenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
SpectraBase Compound ID Lh7eJVnqIZ5
InChI InChI=1S/C26H25ClFN3O2/c1-32-24-11-8-16(12-17(24)15-33-18-9-10-22(28)21(27)13-18)25-19-6-4-2-3-5-7-23(19)31-26(30)20(25)14-29/h8-13H,2-7,15H2,1H3,(H2,30,31)
InChIKey CFTFMRGBPAYPBM-UHFFFAOYSA-N
Mol Weight 465.96 g/mol
Molecular Formula C26H25ClFN3O2
Exact Mass 465.161933 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8Ndl4tNrMgK
Name 2-amino-4-{3-[(3-chloro-4-fluorophenoxy)methyl]-4-methoxyphenyl}-5,6,7,8,9,10-hexahydrocycloocta[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/C26H25ClFN3O2/c1-32-24-11-8-16(12-17(24)15-33-18-9-10-22(28)21(27)13-18)25-19-6-4-2-3-5-7-23(19)31-26(30)20(25)14-29/h8-13H,2-7,15H2,1H3,(H2,30,31)
InChIKey CFTFMRGBPAYPBM-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_20861
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/9315482; UBI_ID: UBI-020865
Temperature 308 °C