3-(1H-1,2,4-triazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]-1-adamantanecarboxamide

SpectraBase Compound ID	1gb3PDpHc9f
InChI	InChI=1S/C20H21F3N4O2/c21-20(22,23)29-16-3-1-15(2-4-16)26-17(28)18-6-13-5-14(7-18)9-19(8-13,10-18)27-12-24-11-25-27/h1-4,11-14H,5-10H2,(H,26,28)
InChIKey	KQEMHFNKURCIHF-UHFFFAOYSA-N Google Search
Mol Weight	406.41 g/mol
Molecular Formula	C20H21F3N4O2
Exact Mass	406.16166 g/mol

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SpectraBase Spectrum ID	JtOXouP8ixQ
Name	3-(1H-1,2,4-triazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]-1-adamantanecarboxamide
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/C20H21F3N4O2/c21-20(22,23)29-16-3-1-15(2-4-16)26-17(28)18-6-13-5-14(7-18)9-19(8-13,10-18)27-12-24-11-25-27/h1-4,11-14H,5-10H2,(H,26,28)
InChIKey	KQEMHFNKURCIHF-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_20338
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/9162555; UBI_ID: UBI-020342
Temperature	318 °C