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

SpectraBase Compound ID	DbydOAHsuDH
InChI	InChI=1S/C18H16N4O4/c1-25-17-8-14(9-21-22-11-19-20-12-22)4-7-16(17)26-10-13-2-5-15(6-3-13)18(23)24/h2-9,11-12H,10H2,1H3,(H,23,24)/b21-9+
InChIKey	PKKDBCICIKRBEN-ZVBGSRNCSA-N Google Search
Mol Weight	352.35 g/mol
Molecular Formula	C18H16N4O4
Exact Mass	352.117155 g/mol

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SpectraBase Spectrum ID	EHJHAm155lD
Name	4-({2-methoxy-4-[(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/C18H16N4O4/c1-25-17-8-14(9-21-22-11-19-20-12-22)4-7-16(17)26-10-13-2-5-15(6-3-13)18(23)24/h2-9,11-12H,10H2,1H3,(H,23,24)/b21-9+
InChIKey	PKKDBCICIKRBEN-ZVBGSRNCSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_22915
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: D36073; Labnumber: SPDEM4-21370; SBI_ID: SBI-022919
Synonyms	4-({2-methoxy-4-[(4H-1,2,4-triazol-4-ylimino)methyl]phenoxy}methyl)benzoic acid
Temperature	308 °C