N-(2-adamantyl)-3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]benzamide

SpectraBase Compound ID	DniCGIQWhKt
InChI	InChI=1S/C21H23BrN4O3/c22-18-11-25(24-20(18)26(28)29)10-12-2-1-3-15(5-12)21(27)23-19-16-6-13-4-14(8-16)9-17(19)7-13/h1-3,5,11,13-14,16-17,19H,4,6-10H2,(H,23,27)/t13-,14+,16-,17+,19?
InChIKey	GIPAKAYVBKGAME-TXFLSZFTSA-N Google Search
Mol Weight	459.34 g/mol
Molecular Formula	C21H23BrN4O3
Exact Mass	458.095354 g/mol

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SpectraBase Spectrum ID	ENlHJSxv6qX
Name	N-(2-adamantyl)-3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]benzamide
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/C21H23BrN4O3/c22-18-11-25(24-20(18)26(28)29)10-12-2-1-3-15(5-12)21(27)23-19-16-6-13-4-14(8-16)9-17(19)7-13/h1-3,5,11,13-14,16-17,19H,4,6-10H2,(H,23,27)/t13-,14+,16-,17+,19?
InChIKey	GIPAKAYVBKGAME-TXFLSZFTSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_19067
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/9134778; UBI_ID: UBI-019070
Temperature	318 °C