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2-amino-4-{3-methoxy-4-[(4-methylbenzyl)oxy]phenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
SpectraBase Compound ID 4tGNnAEYcYC
InChI InChI=1S/C27H29N3O2/c1-18-9-11-19(12-10-18)17-32-24-14-13-20(15-25(24)31-2)26-21-7-5-3-4-6-8-23(21)30-27(29)22(26)16-28/h9-15H,3-8,17H2,1-2H3,(H2,29,30)
InChIKey MHGKBTNHGIWNDF-UHFFFAOYSA-N
Mol Weight 427.55 g/mol
Molecular Formula C27H29N3O2
Exact Mass 427.225977 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IGb8qs2Xaq4
Name 2-amino-4-{3-methoxy-4-[(4-methylbenzyl)oxy]phenyl}-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/C27H29N3O2/c1-18-9-11-19(12-10-18)17-32-24-14-13-20(15-25(24)31-2)26-21-7-5-3-4-6-8-23(21)30-27(29)22(26)16-28/h9-15H,3-8,17H2,1-2H3,(H2,29,30)
InChIKey MHGKBTNHGIWNDF-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_18560
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/9124932; UBI_ID: UBI-018563
Temperature 313 °C