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

SpectraBase Compound ID	K1eK7I1xfDi
InChI	InChI=1S/C22H17BrN4O4/c1-10-13(19-11(2)15(8-25)22(26)27-20(19)14(10)7-24)4-12-5-16(23)21(17(6-12)30-3)31-9-18(28)29/h4-6H,9H2,1-3H3,(H2,26,27)(H,28,29)/b13-4+
InChIKey	IZJCYYUYWAHSFD-YIXHJXPBSA-N Google Search
Mol Weight	481.31 g/mol
Molecular Formula	C22H17BrN4O4
Exact Mass	480.043318 g/mol

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SpectraBase Spectrum ID	7dJG4hRz4KN
Name	{4-[(E)-(2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl]-2-bromo-6-methoxyphenoxy}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/C22H17BrN4O4/c1-10-13(19-11(2)15(8-25)22(26)27-20(19)14(10)7-24)4-12-5-16(23)21(17(6-12)30-3)31-9-18(28)29/h4-6H,9H2,1-3H3,(H2,26,27)(H,28,29)/b13-4+
InChIKey	IZJCYYUYWAHSFD-YIXHJXPBSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_22846
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: D35966; Labnumber: SPDEM4-19161; SBI_ID: SBI-022850
Synonyms	{4-[(2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl]-2-bromo-6-methoxyphenoxy}acetic acid
Temperature	315 °C