{4-[(E)-(2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl]-2,6-dichlorophenoxy}acetic acid

SpectraBase Compound ID	1xHZdbwvX3E
InChI	InChI=1S/C21H14Cl2N4O3/c1-9-12(3-11-4-15(22)20(16(23)5-11)30-8-17(28)29)18-10(2)14(7-25)21(26)27-19(18)13(9)6-24/h3-5H,8H2,1-2H3,(H2,26,27)(H,28,29)/b12-3+
InChIKey	ZWCHZAWDRBJGOO-KGVSQERTSA-N Google Search
Mol Weight	441.27 g/mol
Molecular Formula	C21H14Cl2N4O3
Exact Mass	440.044296 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	GnCP8MTYu6e
Name	{4-[(E)-(2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl]-2,6-dichlorophenoxy}acetic 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/C21H14Cl2N4O3/c1-9-12(3-11-4-15(22)20(16(23)5-11)30-8-17(28)29)18-10(2)14(7-25)21(26)27-19(18)13(9)6-24/h3-5H,8H2,1-2H3,(H2,26,27)(H,28,29)/b12-3+
InChIKey	ZWCHZAWDRBJGOO-KGVSQERTSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_7938
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: D47921; Labnumber: SPDEM4-19155; SBI_ID: SBI-007941
Synonyms	{4-[(2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl]-2,6-dichlorophenoxy}acetic acid
Temperature	318 °C