4-[(1E)-2-cyano-3-(2-methyl-5-nitroanilino)-3-oxo-1-propenyl]-2-ethoxyphenyl benzoate

SpectraBase Compound ID	8jJfkXdX66k
InChI	InChI=1S/C26H21N3O6/c1-3-34-24-14-18(10-12-23(24)35-26(31)19-7-5-4-6-8-19)13-20(16-27)25(30)28-22-15-21(29(32)33)11-9-17(22)2/h4-15H,3H2,1-2H3,(H,28,30)/b20-13+
InChIKey	MLLAMPOWMXXCBF-DEDYPNTBSA-N Google Search
Mol Weight	471.47 g/mol
Molecular Formula	C26H21N3O6
Exact Mass	471.143035 g/mol

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SpectraBase Spectrum ID	IfdnFzDowXy
Name	4-[(1E)-2-cyano-3-(2-methyl-5-nitroanilino)-3-oxo-1-propenyl]-2-ethoxyphenyl benzoate
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/C26H21N3O6/c1-3-34-24-14-18(10-12-23(24)35-26(31)19-7-5-4-6-8-19)13-20(16-27)25(30)28-22-15-21(29(32)33)11-9-17(22)2/h4-15H,3H2,1-2H3,(H,28,30)/b20-13+
InChIKey	MLLAMPOWMXXCBF-DEDYPNTBSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_8398
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: 9686934; UBI_ID: UBI-008401
Synonyms	4-[2-cyano-3-(2-methyl-5-nitroanilino)-3-oxo-1-propenyl]-2-ethoxyphenyl benzoate
Temperature	308 °C