4-{5-[(1E)-2-cyano-3-(4-methyl-2-nitroanilino)-3-oxo-1-propenyl]-2-furyl}benzoic acid

SpectraBase Compound ID	BFCUjcvFyoe
InChI	InChI=1S/C22H15N3O6/c1-13-2-8-18(19(10-13)25(29)30)24-21(26)16(12-23)11-17-7-9-20(31-17)14-3-5-15(6-4-14)22(27)28/h2-11H,1H3,(H,24,26)(H,27,28)/b16-11+
InChIKey	KGRIITWBRXNYGJ-LFIBNONCSA-N Google Search
Mol Weight	417.38 g/mol
Molecular Formula	C22H15N3O6
Exact Mass	417.096085 g/mol

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SpectraBase Spectrum ID	K9OYNh6nojx
Name	4-{5-[(1E)-2-cyano-3-(4-methyl-2-nitroanilino)-3-oxo-1-propenyl]-2-furyl}benzoic 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/C22H15N3O6/c1-13-2-8-18(19(10-13)25(29)30)24-21(26)16(12-23)11-17-7-9-20(31-17)14-3-5-15(6-4-14)22(27)28/h2-11H,1H3,(H,24,26)(H,27,28)/b16-11+
InChIKey	KGRIITWBRXNYGJ-LFIBNONCSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_5230
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: 9682173; UBI_ID: UBI-005232
Synonyms	4-{5-[2-cyano-3-(4-methyl-2-nitroanilino)-3-oxo-1-propenyl]-2-furyl}benzoic acid
Temperature	308 °C