2-(1-adamantyl)-5-[1-(1-adamantyl)-4-nitro-1H-pyrazol-3-yl]-2H-tetraazole

SpectraBase Compound ID	LZkfA3leQRs
InChI	InChI=1S/C24H31N7O2/c32-30(33)20-13-29(23-7-14-1-15(8-23)3-16(2-14)9-23)26-21(20)22-25-28-31(27-22)24-10-17-4-18(11-24)6-19(5-17)12-24/h13-19H,1-12H2/t14-,15+,16-,17-,18+,19-,23-,24-
InChIKey	OTQZJZWQQGQYDM-HORBGHMGSA-N Google Search
Mol Weight	449.56 g/mol
Molecular Formula	C24H31N7O2
Exact Mass	449.253923 g/mol

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SpectraBase Spectrum ID	DqUgaBUXAs1
Name	2-(1-adamantyl)-5-[1-(1-adamantyl)-4-nitro-1H-pyrazol-3-yl]-2H-tetraazole
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/C24H31N7O2/c32-30(33)20-13-29(23-7-14-1-15(8-23)3-16(2-14)9-23)26-21(20)22-25-28-31(27-22)24-10-17-4-18(11-24)6-19(5-17)12-24/h13-19H,1-12H2/t14-,15+,16-,17-,18+,19-,23-,24-
InChIKey	OTQZJZWQQGQYDM-HORBGHMGSA-N
NMR Offset	17.5285
NMR Spectrometer Frequency	500.138
Observed nucleus	1H
Origin	1H_UBI_21270_14811
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/1020230; UBI_ID: UBI-014814
Temperature	300 °C