N-((E)-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene)-4H-1,2,4-triazol-4-amine

SpectraBase Compound ID	5CmlHMQe2mA
InChI	InChI=1S/C16H17N7O3/c1-11-16(23(24)25)12(2)22(20-11)8-14-6-13(4-5-15(14)26-3)7-19-21-9-17-18-10-21/h4-7,9-10H,8H2,1-3H3/b19-7+
InChIKey	PVCLRPCTTQHAHW-FBCYGCLPSA-N Google Search
Mol Weight	355.36 g/mol
Molecular Formula	C16H17N7O3
Exact Mass	355.139287 g/mol

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SpectraBase Spectrum ID	A8J2tFKoHvQ
Name	N-((E)-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene)-4H-1,2,4-triazol-4-amine
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/C16H17N7O3/c1-11-16(23(24)25)12(2)22(20-11)8-14-6-13(4-5-15(14)26-3)7-19-21-9-17-18-10-21/h4-7,9-10H,8H2,1-3H3/b19-7+
InChIKey	PVCLRPCTTQHAHW-FBCYGCLPSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_16089
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: D09934; Labnumber: KHAN-0379; SBI_ID: SBI-016092
Synonyms	N-((E)-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene)-N-(4H-1,2,4-triazol-4-yl)amineN-({3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene)-4H-1,2,4-triazol-4-amine
Temperature	318 °C