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

SpectraBase Compound ID	BCet89984me
InChI	InChI=1S/C23H19BrN4O4/c1-4-31-18-7-13(6-17(24)22(18)32-10-19(29)30)5-14-11(2)15(8-25)21-20(14)12(3)16(9-26)23(27)28-21/h5-7H,4,10H2,1-3H3,(H2,27,28)(H,29,30)/b14-5+
InChIKey	GFGLLFNLENJSGC-LHHJGKSTSA-N Google Search
Mol Weight	495.33 g/mol
Molecular Formula	C23H19BrN4O4
Exact Mass	494.058968 g/mol

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SpectraBase Spectrum ID	2Ws3qLOJY4
Name	{4-[(E)-(2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl]-2-bromo-6-ethoxyphenoxy}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/C23H19BrN4O4/c1-4-31-18-7-13(6-17(24)22(18)32-10-19(29)30)5-14-11(2)15(8-25)21-20(14)12(3)16(9-26)23(27)28-21/h5-7H,4,10H2,1-3H3,(H2,27,28)(H,29,30)/b14-5+
InChIKey	GFGLLFNLENJSGC-LHHJGKSTSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_22847
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: D35967; Labnumber: SPDEM4-19162; SBI_ID: SBI-022851
Synonyms	{4-[(2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl]-2-bromo-6-ethoxyphenoxy}acetic acid
Temperature	315 °C