4-({(2Z)-3-(1,3-benzodioxol-5-yl)-2-[(2-bromobenzoyl)amino]-2-propenoyl}amino)butanoic acid

SpectraBase Compound ID	E9paHwSpFDT
InChI	InChI=1S/C21H19BrN2O6/c22-15-5-2-1-4-14(15)20(27)24-16(21(28)23-9-3-6-19(25)26)10-13-7-8-17-18(11-13)30-12-29-17/h1-2,4-5,7-8,10-11H,3,6,9,12H2,(H,23,28)(H,24,27)(H,25,26)/b16-10-
InChIKey	BOIUKKRQCKEKHZ-YBEGLDIGSA-N Google Search
Mol Weight	475.3 g/mol
Molecular Formula	C21H19BrN2O6
Exact Mass	474.042649 g/mol

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SpectraBase Spectrum ID	EmirPu8gw8i
Name	4-({(2Z)-3-(1,3-benzodioxol-5-yl)-2-[(2-bromobenzoyl)amino]-2-propenoyl}amino)butanoic 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/C21H19BrN2O6/c22-15-5-2-1-4-14(15)20(27)24-16(21(28)23-9-3-6-19(25)26)10-13-7-8-17-18(11-13)30-12-29-17/h1-2,4-5,7-8,10-11H,3,6,9,12H2,(H,23,28)(H,24,27)(H,25,26)/b16-10-
InChIKey	BOIUKKRQCKEKHZ-YBEGLDIGSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_11244
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: 802437; Labnumber: AEGU8-1678; VK_ID: VK-011248
Synonyms	4-({3-(1,3-benzodioxol-5-yl)-2-[(2-bromobenzoyl)amino]-2-propenoyl}amino)butanoic acid
Temperature	308 °C