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2-amino-4-{3-methoxy-4-[(4-methoxyphenoxy)methyl]phenyl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
SpectraBase Compound ID 4aEy2XC3XZO
InChI InChI=1S/C26H27N3O3/c1-30-19-10-12-20(13-11-19)32-16-18-9-8-17(14-24(18)31-2)25-21-6-4-3-5-7-23(21)29-26(28)22(25)15-27/h8-14H,3-7,16H2,1-2H3,(H2,28,29)
InChIKey KYBXVAZYMIEPBT-UHFFFAOYSA-N
Mol Weight 429.52 g/mol
Molecular Formula C26H27N3O3
Exact Mass 429.205242 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID InKTmmeIoRD
Name 2-amino-4-{3-methoxy-4-[(4-methoxyphenoxy)methyl]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/C26H27N3O3/c1-30-19-10-12-20(13-11-19)32-16-18-9-8-17(14-24(18)31-2)25-21-6-4-3-5-7-23(21)29-26(28)22(25)15-27/h8-14H,3-7,16H2,1-2H3,(H2,28,29)
InChIKey KYBXVAZYMIEPBT-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_1105
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: 9312093; UBI_ID: UBI-001106
Temperature 308 °C