(2E)-4-(4-bromoanilino)-4-oxo-2-butenoic acid compound with 1-[bis(2-hydroxyethyl)amino]-3-phenoxy-2-propanol (1:1)

SpectraBase Compound ID	ANVy2m0MTwr
InChI	InChI=1S/C13H21NO4.C10H8BrNO3/c15-8-6-14(7-9-16)10-12(17)11-18-13-4-2-1-3-5-13;11-7-1-3-8(4-2-7)12-9(13)5-6-10(14)15/h1-5,12,15-17H,6-11H2;1-6H,(H,12,13)(H,14,15)/b;6-5+
InChIKey	WOIQBNBURMBZIX-MXDQRGINSA-N Google Search
Mol Weight	525.4 g/mol
Molecular Formula	C23H29BrN2O7
Exact Mass	524.115814 g/mol

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SpectraBase Spectrum ID	Cv11fB0wfKg
Name	(2E)-4-(4-bromoanilino)-4-oxo-2-butenoic acid compound with 1-[bis(2-hydroxyethyl)amino]-3-phenoxy-2-propanol (1:1)
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/C13H21NO4.C10H8BrNO3/c15-8-6-14(7-9-16)10-12(17)11-18-13-4-2-1-3-5-13;11-7-1-3-8(4-2-7)12-9(13)5-6-10(14)15/h1-5,12,15-17H,6-11H2;1-6H,(H,12,13)(H,14,15)/b;6-5+
InChIKey	WOIQBNBURMBZIX-MXDQRGINSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_1422
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: H10288UD1-0278; Labnumber: H10288UD1-0278; VK_ID: VK-001423
Synonyms	4-(4-bromoanilino)-4-oxo-2-butenoic acid compound with 1-[bis(2-hydroxyethyl)amino]-3-phenoxy-2-propanol (1:1)
Temperature	315 °C