5-amino-3-[(Z)-2-(3-bromo-5-ethoxy-4-methoxyphenyl)-1-cyanoethenyl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile

SpectraBase Compound ID	J4bQ6aWQoaE
InChI	InChI=1S/C18H18BrN5O3/c1-3-27-15-8-11(7-14(19)17(15)26-2)6-12(9-20)16-13(10-21)18(22)24(23-16)4-5-25/h6-8,25H,3-5,22H2,1-2H3/b12-6+
InChIKey	PTCDVQRHWMQPSQ-WUXMJOGZSA-N Google Search
Mol Weight	432.28 g/mol
Molecular Formula	C18H18BrN5O3
Exact Mass	431.059302 g/mol

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SpectraBase Spectrum ID	Ih3lDOCRJdi
Name	5-amino-3-[(Z)-2-(3-bromo-5-ethoxy-4-methoxyphenyl)-1-cyanoethenyl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
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/C18H18BrN5O3/c1-3-27-15-8-11(7-14(19)17(15)26-2)6-12(9-20)16-13(10-21)18(22)24(23-16)4-5-25/h6-8,25H,3-5,22H2,1-2H3/b12-6+
InChIKey	PTCDVQRHWMQPSQ-WUXMJOGZSA-N
NMR Offset	15.1248
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_ASIOH_7000_3549
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: ZI/7050956; Labnumber: SAD-0000843; IOH_ID: IOH-003550
Synonyms	5-amino-3-[2-(3-bromo-5-ethoxy-4-methoxyphenyl)-1-cyanoethenyl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Temperature	303 °C