N-(1-adamantyl)-N'-[1-(2,4-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]urea

SpectraBase Compound ID	8RvssTrf0X7
InChI	InChI=1S/C23H28Cl2N4O/c1-13-21(14(2)29(28-13)12-18-3-4-19(24)8-20(18)25)26-22(30)27-23-9-15-5-16(10-23)7-17(6-15)11-23/h3-4,8,15-17H,5-7,9-12H2,1-2H3,(H2,26,27,30)/t15-,16+,17-,23-
InChIKey	GQJVWWHRTDUBRI-FWWHLXPUSA-N Google Search
Mol Weight	447.41 g/mol
Molecular Formula	C23H28Cl2N4O
Exact Mass	446.164017 g/mol

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SpectraBase Spectrum ID	HZcWi640UJN
Name	N-(1-adamantyl)-N'-[1-(2,4-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]urea
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/C23H28Cl2N4O/c1-13-21(14(2)29(28-13)12-18-3-4-19(24)8-20(18)25)26-22(30)27-23-9-15-5-16(10-23)7-17(6-15)11-23/h3-4,8,15-17H,5-7,9-12H2,1-2H3,(H2,26,27,30)/t15-,16+,17-,23-
InChIKey	GQJVWWHRTDUBRI-FWWHLXPUSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_20359
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/9163028; UBI_ID: UBI-020363
Temperature	318 °C