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

SpectraBase Compound ID	BD7un3lJq7h
InChI	InChI=1S/C21H19BrN2O6/c22-15-6-4-14(5-7-15)20(27)24-16(21(28)23-9-1-2-19(25)26)10-13-3-8-17-18(11-13)30-12-29-17/h3-8,10-11H,1-2,9,12H2,(H,23,28)(H,24,27)(H,25,26)/b16-10+
InChIKey	JHPOMIOTXYHFPO-MHWRWJLKSA-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	JvOxzezCT1U
Name	4-({(2E)-3-(1,3-benzodioxol-5-yl)-2-[(4-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/c22-15-6-4-14(5-7-15)20(27)24-16(21(28)23-9-1-2-19(25)26)10-13-3-8-17-18(11-13)30-12-29-17/h3-8,10-11H,1-2,9,12H2,(H,23,28)(H,24,27)(H,25,26)/b16-10+
InChIKey	JHPOMIOTXYHFPO-MHWRWJLKSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_11238
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: 802424; Labnumber: AEGU8-1658; VK_ID: VK-011242
Synonyms	4-({3-(1,3-benzodioxol-5-yl)-2-[(4-bromobenzoyl)amino]-2-propenoyl}amino)butanoic acid
Temperature	308 °C