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2-amino-4-{4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
SpectraBase Compound ID 80wloyQ4Zmh
InChI InChI=1S/C26H26ClN3O2/c1-31-24-14-18(10-13-23(24)32-16-17-8-11-19(27)12-9-17)25-20-6-4-2-3-5-7-22(20)30-26(29)21(25)15-28/h8-14H,2-7,16H2,1H3,(H2,29,30)
InChIKey PBWIWPQQXCPWJQ-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 DMIXTNzHeIq
Name 2-amino-4-{4-[(4-chlorobenzyl)oxy]-3-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/c1-31-24-14-18(10-13-23(24)32-16-17-8-11-19(27)12-9-17)25-20-6-4-2-3-5-7-22(20)30-26(29)21(25)15-28/h8-14H,2-7,16H2,1H3,(H2,29,30)
InChIKey PBWIWPQQXCPWJQ-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_12737
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: UZI/9125034; UBI_ID: UBI-012740
Temperature 313 °C