3-{2,5-dimethyl-3-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]-1H-pyrrol-1-yl}benzoic acid

SpectraBase Compound ID	GKM06afkOPB
InChI	InChI=1S/C16H15N5O2/c1-11-6-14(8-19-20-9-17-18-10-20)12(2)21(11)15-5-3-4-13(7-15)16(22)23/h3-10H,1-2H3,(H,22,23)/b19-8+
InChIKey	JPRNMWMGBZDCEI-UFWORHAWSA-N Google Search
Mol Weight	309.33 g/mol
Molecular Formula	C16H15N5O2
Exact Mass	309.122575 g/mol

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SpectraBase Spectrum ID	2wWgMgX34ST
Name	3-{2,5-dimethyl-3-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]-1H-pyrrol-1-yl}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/C16H15N5O2/c1-11-6-14(8-19-20-9-17-18-10-20)12(2)21(11)15-5-3-4-13(7-15)16(22)23/h3-10H,1-2H3,(H,22,23)/b19-8+
InChIKey	JPRNMWMGBZDCEI-UFWORHAWSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_8367
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: D36178; Labnumber: SPDEM5-38116; SBI_ID: SBI-008370
Synonyms	3-{2,5-dimethyl-3-[(4H-1,2,4-triazol-4-ylimino)methyl]-1H-pyrrol-1-yl}benzoic acid
Temperature	318 °C