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2-amino-4-{3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
SpectraBase Compound ID 9QorwnUBqrM
InChI InChI=1S/C25H24ClN3O2/c1-30-23-12-7-16(13-17(23)15-31-19-10-8-18(26)9-11-19)24-20-5-3-2-4-6-22(20)29-25(28)21(24)14-27/h7-13H,2-6,15H2,1H3,(H2,28,29)
InChIKey JESHTGSGZJLKAI-UHFFFAOYSA-N
Mol Weight 433.94 g/mol
Molecular Formula C25H24ClN3O2
Exact Mass 433.155705 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2ci2oXXJsO5
Name 2-amino-4-{3-[(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/C25H24ClN3O2/c1-30-23-12-7-16(13-17(23)15-31-19-10-8-18(26)9-11-19)24-20-5-3-2-4-6-22(20)29-25(28)21(24)14-27/h7-13H,2-6,15H2,1H3,(H2,28,29)
InChIKey JESHTGSGZJLKAI-UHFFFAOYSA-N
NMR Offset 16.0772
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_1402
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: 9311810; UBI_ID: UBI-001403
Temperature 308 °C