2-{[(2E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-2-propenoyl]amino}benzoic acid

SpectraBase Compound ID	H0EfbBVMsrJ
InChI	InChI=1S/C18H11BrN2O5/c19-13-7-16-15(25-9-26-16)6-10(13)5-11(8-20)17(22)21-14-4-2-1-3-12(14)18(23)24/h1-7H,9H2,(H,21,22)(H,23,24)/b11-5+
InChIKey	MDCVJSTUGFDXJJ-VZUCSPMQSA-N Google Search
Mol Weight	415.2 g/mol
Molecular Formula	C18H11BrN2O5
Exact Mass	413.985134 g/mol

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SpectraBase Spectrum ID	DSxYhCNaSnL
Name	2-{[(2E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-2-propenoyl]amino}benzoic 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/C18H11BrN2O5/c19-13-7-16-15(25-9-26-16)6-10(13)5-11(8-20)17(22)21-14-4-2-1-3-12(14)18(23)24/h1-7H,9H2,(H,21,22)(H,23,24)/b11-5+
InChIKey	MDCVJSTUGFDXJJ-VZUCSPMQSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_5203
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: 9683232; UBI_ID: UBI-005205
Synonyms	2-{[3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-2-propenoyl]amino}benzoic acid
Temperature	308 °C