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

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2-amino-4-{3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
SpectraBase Compound ID 4TBINxpzfVh
InChI InChI=1S/C26H25BrClN3O2/c1-32-23-10-8-16(12-17(23)15-33-24-11-9-18(28)13-21(24)27)25-19-6-4-2-3-5-7-22(19)31-26(30)20(25)14-29/h8-13H,2-7,15H2,1H3,(H2,30,31)
InChIKey VGEDUHJTOUUPKT-UHFFFAOYSA-N
Mol Weight 526.86 g/mol
Molecular Formula C26H25BrClN3O2
Exact Mass 525.081868 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 34LiXlQF7DI
Name 2-amino-4-{3-[(2-bromo-4-chlorophenoxy)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/C26H25BrClN3O2/c1-32-23-10-8-16(12-17(23)15-33-24-11-9-18(28)13-21(24)27)25-19-6-4-2-3-5-7-22(19)31-26(30)20(25)14-29/h8-13H,2-7,15H2,1H3,(H2,30,31)
InChIKey VGEDUHJTOUUPKT-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3551
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: 9314786; UBI_ID: UBI-003552
Temperature 318 °C