benzoic acid, 4-bromo-, 4-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]phenyl ester

SpectraBase Compound ID	JLcW5JijP9d
InChI	InChI=1S/C16H11BrN4O2/c17-14-5-3-13(4-6-14)16(22)23-15-7-1-12(2-8-15)9-20-21-10-18-19-11-21/h1-11H/b20-9+
InChIKey	NIBNXEQFELWRGG-AWQFTUOYSA-N Google Search
Mol Weight	371.19 g/mol
Molecular Formula	C16H11BrN4O2
Exact Mass	370.006539 g/mol

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SpectraBase Spectrum ID	9X1oSWMaEFA
Name	benzoic acid, 4-bromo-, 4-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]phenyl ester
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/C16H11BrN4O2/c17-14-5-3-13(4-6-14)16(22)23-15-7-1-12(2-8-15)9-20-21-10-18-19-11-21/h1-11H/b20-9+
InChIKey	NIBNXEQFELWRGG-AWQFTUOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_ASIOH_8516_623
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: AG-205/5046626; Labnumber: LD-3876a; IOH_ID: IOH-007624