5-amino-3-[(Z)-2-(6-chloro-1,3-benzodioxol-5-yl)-1-cyanoethenyl]-1-phenyl-1H-pyrazole-4-carbonitrile

SpectraBase Compound ID	FFpnlkW502m
InChI	InChI=1S/C20H12ClN5O2/c21-16-8-18-17(27-11-28-18)7-12(16)6-13(9-22)19-15(10-23)20(24)26(25-19)14-4-2-1-3-5-14/h1-8H,11,24H2/b13-6+
InChIKey	SAJHMMHAQSJKNU-AWNIVKPZSA-N Google Search
Mol Weight	389.8 g/mol
Molecular Formula	C20H12ClN5O2
Exact Mass	389.067952 g/mol

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SpectraBase Spectrum ID	8F3gcztrCfD
Name	5-amino-3-[(Z)-2-(6-chloro-1,3-benzodioxol-5-yl)-1-cyanoethenyl]-1-phenyl-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/C20H12ClN5O2/c21-16-8-18-17(27-11-28-18)7-12(16)6-13(9-22)19-15(10-23)20(24)26(25-19)14-4-2-1-3-5-14/h1-8H,11,24H2/b13-6+
InChIKey	SAJHMMHAQSJKNU-AWNIVKPZSA-N
NMR Offset	15.0036
NMR Spectrometer Frequency	250.134
Observed nucleus	1H
Origin	1H_ASIOH_7000_3770
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/7091979; Labnumber: SAD-e900243; IOH_ID: IOH-003771
Synonyms	5-amino-3-[2-(6-chloro-1,3-benzodioxol-5-yl)-1-cyanoethenyl]-1-phenyl-1H-pyrazole-4-carbonitrile
Temperature	297 °C