1-(1-adamantyl)-N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-4-chloro-1H-pyrazole-3-carboxamide

SpectraBase Compound ID	80rZ6XH53XL
InChI	InChI=1S/C24H24ClF6N3O3/c25-19-10-34(22-7-13-1-14(8-22)3-15(2-13)9-22)33-20(19)21(35)32-16-4-17(36-11-23(26,27)28)6-18(5-16)37-12-24(29,30)31/h4-6,10,13-15H,1-3,7-9,11-12H2,(H,32,35)/t13-,14+,15-,22-
InChIKey	KLOGPQFHIGTDAJ-CNNQHEGBSA-N Google Search
Mol Weight	551.92 g/mol
Molecular Formula	C24H24ClF6N3O3
Exact Mass	551.141038 g/mol

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SpectraBase Spectrum ID	AQHCG4hAQKk
Name	1-(1-adamantyl)-N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-4-chloro-1H-pyrazole-3-carboxamide
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/C24H24ClF6N3O3/c25-19-10-34(22-7-13-1-14(8-22)3-15(2-13)9-22)33-20(19)21(35)32-16-4-17(36-11-23(26,27)28)6-18(5-16)37-12-24(29,30)31/h4-6,10,13-15H,1-3,7-9,11-12H2,(H,32,35)/t13-,14+,15-,22-
InChIKey	KLOGPQFHIGTDAJ-CNNQHEGBSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_10990
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/9080453; UBI_ID: UBI-010993
Temperature	308 °C