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

SpectraBase Compound ID	JtTMXb4eBY6
InChI	InChI=1S/C22H21BrN2O6/c1-14(26)29-10-2-9-24-22(28)18(25-21(27)16-4-6-17(23)7-5-16)11-15-3-8-19-20(12-15)31-13-30-19/h3-8,11-12H,2,9-10,13H2,1H3,(H,24,28)(H,25,27)/b18-11+
InChIKey	SJYYBZYXTWJNIT-WOJGMQOQSA-N Google Search
Mol Weight	489.32 g/mol
Molecular Formula	C22H21BrN2O6
Exact Mass	488.058299 g/mol

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SpectraBase Spectrum ID	3FTvkYam4JC
Name	3-({(2E)-3-(1,3-benzodioxol-5-yl)-2-[(4-bromobenzoyl)amino]-2-propenoyl}amino)propyl acetate
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/C22H21BrN2O6/c1-14(26)29-10-2-9-24-22(28)18(25-21(27)16-4-6-17(23)7-5-16)11-15-3-8-19-20(12-15)31-13-30-19/h3-8,11-12H,2,9-10,13H2,1H3,(H,24,28)(H,25,27)/b18-11+
InChIKey	SJYYBZYXTWJNIT-WOJGMQOQSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_11162
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: 802419; Labnumber: AEGU8-1647; VK_ID: VK-011166
Synonyms	3-({3-(1,3-benzodioxol-5-yl)-2-[(4-bromobenzoyl)amino]-2-propenoyl}amino)propyl acetate
Temperature	308 °C