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2-amino-4-{3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
SpectraBase Compound ID 3khMzsHcgBl
InChI InChI=1S/C26H26ClN3O2/c1-31-24-13-8-17(14-18(24)16-32-20-11-9-19(27)10-12-20)25-21-6-4-2-3-5-7-23(21)30-26(29)22(25)15-28/h8-14H,2-7,16H2,1H3,(H2,29,30)
InChIKey WPJKKRRYFBKTIB-UHFFFAOYSA-N
Mol Weight 447.97 g/mol
Molecular Formula C26H26ClN3O2
Exact Mass 447.171355 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CDWbXE5l0Eu
Name 2-amino-4-{3-[(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/C26H26ClN3O2/c1-31-24-13-8-17(14-18(24)16-32-20-11-9-19(27)10-12-20)25-21-6-4-2-3-5-7-23(21)30-26(29)22(25)15-28/h8-14H,2-7,16H2,1H3,(H2,29,30)
InChIKey WPJKKRRYFBKTIB-UHFFFAOYSA-N
NMR Offset 16.0772
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_1403
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: 9312327; UBI_ID: UBI-001404
Temperature 308 °C