2-{[5-(3-bromophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-chlorophenyl)ethanone

SpectraBase Compound ID	8qxrILWc7rP
InChI	InChI=1S/C16H11BrClN3OS/c17-12-3-1-2-11(8-12)15-19-16(21-20-15)23-9-14(22)10-4-6-13(18)7-5-10/h1-8H,9H2,(H,19,20,21)
InChIKey	CXWDUWMCRUTIFI-UHFFFAOYSA-N Google Search
Mol Weight	408.7 g/mol
Molecular Formula	C16H11BrClN3OS
Exact Mass	406.949474 g/mol

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SpectraBase Spectrum ID	I5VFZ0pTMcm
Name	2-{[5-(3-bromophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-chlorophenyl)ethanone
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/C16H11BrClN3OS/c17-12-3-1-2-11(8-12)15-19-16(21-20-15)23-9-14(22)10-4-6-13(18)7-5-10/h1-8H,9H2,(H,19,20,21)
InChIKey	CXWDUWMCRUTIFI-UHFFFAOYSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_6030
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: 121956; Labnumber: EX00112506; VK_ID: VK-006033
Temperature	308 °C