2-amino-4-[1-(4-bromobenzyl)-3-phenyl-1H-pyrazol-4-yl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile

SpectraBase Compound ID	9x15fy4NmRv
InChI	InChI=1S/C28H26BrN5/c29-21-14-12-19(13-15-21)17-34-18-24(27(33-34)20-8-4-3-5-9-20)26-22-10-6-1-2-7-11-25(22)32-28(31)23(26)16-30/h3-5,8-9,12-15,18H,1-2,6-7,10-11,17H2,(H2,31,32)
InChIKey	SJWLXJWSKPNHJH-UHFFFAOYSA-N Google Search
Mol Weight	512.46 g/mol
Molecular Formula	C28H26BrN5
Exact Mass	511.137159 g/mol

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SpectraBase Spectrum ID	5kyd3mHyuD8
Name	2-amino-4-[1-(4-bromobenzyl)-3-phenyl-1H-pyrazol-4-yl]-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/C28H26BrN5/c29-21-14-12-19(13-15-21)17-34-18-24(27(33-34)20-8-4-3-5-9-20)26-22-10-6-1-2-7-11-25(22)32-28(31)23(26)16-30/h3-5,8-9,12-15,18H,1-2,6-7,10-11,17H2,(H2,31,32)
InChIKey	SJWLXJWSKPNHJH-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_1130
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: 9310998; UBI_ID: UBI-001131
Temperature	308 °C