2-{[4-amino-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-benzylacetamide

SpectraBase Compound ID	7JRlxghVV3V
InChI	InChI=1S/C12H12F3N5OS/c13-12(14,15)10-18-19-11(20(10)16)22-7-9(21)17-6-8-4-2-1-3-5-8/h1-5H,6-7,16H2,(H,17,21)
InChIKey	ANPNBXLFHUJZEO-UHFFFAOYSA-N Google Search
Mol Weight	331.32 g/mol
Molecular Formula	C12H12F3N5OS
Exact Mass	331.071466 g/mol

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SpectraBase Spectrum ID	9Xp2tOTmR9k
Name	2-{[4-amino-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-benzylacetamide
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/C12H12F3N5OS/c13-12(14,15)10-18-19-11(20(10)16)22-7-9(21)17-6-8-4-2-1-3-5-8/h1-5H,6-7,16H2,(H,17,21)
InChIKey	ANPNBXLFHUJZEO-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_5893
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: 121789; Labnumber: EX00112113; VK_ID: VK-005896
Temperature	318 °C