6-({(2Z)-3-(1,3-benzodioxol-5-yl)-2-[(2-bromobenzoyl)amino]-2-propenoyl}amino)hexanoic acid

SpectraBase Compound ID	Fv3Ay8n3lSJ
InChI	InChI=1S/C23H23BrN2O6/c24-17-7-4-3-6-16(17)22(29)26-18(23(30)25-11-5-1-2-8-21(27)28)12-15-9-10-19-20(13-15)32-14-31-19/h3-4,6-7,9-10,12-13H,1-2,5,8,11,14H2,(H,25,30)(H,26,29)(H,27,28)/b18-12-
InChIKey	JBBIPKXRDCZLJG-PDGQHHTCSA-N Google Search
Mol Weight	503.35 g/mol
Molecular Formula	C23H23BrN2O6
Exact Mass	502.073949 g/mol

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SpectraBase Spectrum ID	9ezB1IdOVS
Name	6-({(2Z)-3-(1,3-benzodioxol-5-yl)-2-[(2-bromobenzoyl)amino]-2-propenoyl}amino)hexanoic 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/C23H23BrN2O6/c24-17-7-4-3-6-16(17)22(29)26-18(23(30)25-11-5-1-2-8-21(27)28)12-15-9-10-19-20(13-15)32-14-31-19/h3-4,6-7,9-10,12-13H,1-2,5,8,11,14H2,(H,25,30)(H,26,29)(H,27,28)/b18-12-
InChIKey	JBBIPKXRDCZLJG-PDGQHHTCSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_11245
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: 802438; Labnumber: AEGU8-1679; VK_ID: VK-011249
Synonyms	6-({3-(1,3-benzodioxol-5-yl)-2-[(2-bromobenzoyl)amino]-2-propenoyl}amino)hexanoic acid
Temperature	308 °C