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

SpectraBase Compound ID	Li03EPKm8Ys
InChI	InChI=1S/C26H26FN3O2/c1-31-24-14-17(8-9-18(24)16-32-20-12-10-19(27)11-13-20)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	LIZRBLCKQSXCIM-UHFFFAOYSA-N Google Search
Mol Weight	431.51 g/mol
Molecular Formula	C26H26FN3O2
Exact Mass	431.200905 g/mol

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SpectraBase Spectrum ID	5RhzPw08XlO
Name	2-amino-4-{4-[(4-fluorophenoxy)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/C26H26FN3O2/c1-31-24-14-17(8-9-18(24)16-32-20-12-10-19(27)11-13-20)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	LIZRBLCKQSXCIM-UHFFFAOYSA-N
NMR Offset	16.0772
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_1400
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: 9311788; UBI_ID: UBI-001401
Temperature	308 °C