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

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2-amino-4-{3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
SpectraBase Compound ID Gg7XDX68qjM
InChI InChI=1S/C25H23BrClN3O2/c1-31-22-9-7-15(11-16(22)14-32-23-10-8-17(27)12-20(23)26)24-18-5-3-2-4-6-21(18)30-25(29)19(24)13-28/h7-12H,2-6,14H2,1H3,(H2,29,30)
InChIKey XIORPRGPJRLYGV-UHFFFAOYSA-N
Mol Weight 512.84 g/mol
Molecular Formula C25H23BrClN3O2
Exact Mass 511.066218 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DEQ7DnhfgPK
Name 2-amino-4-{3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl}-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/C25H23BrClN3O2/c1-31-22-9-7-15(11-16(22)14-32-23-10-8-17(27)12-20(23)26)24-18-5-3-2-4-6-21(18)30-25(29)19(24)13-28/h7-12H,2-6,14H2,1H3,(H2,29,30)
InChIKey XIORPRGPJRLYGV-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3545
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: 9313561; UBI_ID: UBI-003546
Temperature 318 °C