4-({2-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]phenoxy}methyl)benzoic acid

SpectraBase Compound ID	9B1pozmlwCn
InChI	InChI=1S/C17H14N4O3/c22-17(23)14-7-5-13(6-8-14)10-24-16-4-2-1-3-15(16)9-20-21-11-18-19-12-21/h1-9,11-12H,10H2,(H,22,23)/b20-9+
InChIKey	PJDSGWBMDKGMOD-AWQFTUOYSA-N Google Search
Mol Weight	322.32 g/mol
Molecular Formula	C17H14N4O3
Exact Mass	322.10659 g/mol

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SpectraBase Spectrum ID	4b3YmDMqw9Q
Name	4-({2-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]phenoxy}methyl)benzoic acid
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/C17H14N4O3/c22-17(23)14-7-5-13(6-8-14)10-24-16-4-2-1-3-15(16)9-20-21-11-18-19-12-21/h1-9,11-12H,10H2,(H,22,23)/b20-9+
InChIKey	PJDSGWBMDKGMOD-AWQFTUOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_22916
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: D36074; Labnumber: SPDEM4-21372; SBI_ID: SBI-022920
Synonyms	4-({2-[(4H-1,2,4-triazol-4-ylimino)methyl]phenoxy}methyl)benzoic acid
Temperature	308 °C