2-amino-4-{4-[(2-bromophenoxy)methyl]-3-methoxyphenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile

SpectraBase Compound ID	8BNvqFGENAH
InChI	InChI=1S/C26H26BrN3O2/c1-31-24-14-17(12-13-18(24)16-32-23-11-7-6-9-21(23)27)25-19-8-4-2-3-5-10-22(19)30-26(29)20(25)15-28/h6-7,9,11-14H,2-5,8,10,16H2,1H3,(H2,29,30)
InChIKey	JGQLVVFUSNOWBT-UHFFFAOYSA-N Google Search
Mol Weight	492.42 g/mol
Molecular Formula	C26H26BrN3O2
Exact Mass	491.12084 g/mol

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SpectraBase Spectrum ID	Fy70GeYuySS
Name	2-amino-4-{4-[(2-bromophenoxy)methyl]-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/C26H26BrN3O2/c1-31-24-14-17(12-13-18(24)16-32-23-11-7-6-9-21(23)27)25-19-8-4-2-3-5-10-22(19)30-26(29)20(25)15-28/h6-7,9,11-14H,2-5,8,10,16H2,1H3,(H2,29,30)
InChIKey	JGQLVVFUSNOWBT-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_1110
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: 9312226; UBI_ID: UBI-001111
Temperature	308 °C