benzoic acid, 4-[(3E)-3-[(3,4-dihydroxyphenyl)methylene]-2,5-dioxopyrrolidinyl]-, butyl ester

SpectraBase Compound ID	J5kFstykpXK
InChI	InChI=1S/C22H21NO6/c1-2-3-10-29-22(28)15-5-7-17(8-6-15)23-20(26)13-16(21(23)27)11-14-4-9-18(24)19(25)12-14/h4-9,11-12,24-25H,2-3,10,13H2,1H3/b16-11+
InChIKey	BJBJDFUOVJYLJK-LFIBNONCSA-N Google Search
Mol Weight	395.41 g/mol
Molecular Formula	C22H21NO6
Exact Mass	395.136887 g/mol

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SpectraBase Spectrum ID	9LUzMBSdREb
Name	benzoic acid, 4-[(3E)-3-[(3,4-dihydroxyphenyl)methylene]-2,5-dioxopyrrolidinyl]-, butyl ester
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/C22H21NO6/c1-2-3-10-29-22(28)15-5-7-17(8-6-15)23-20(26)13-16(21(23)27)11-14-4-9-18(24)19(25)12-14/h4-9,11-12,24-25H,2-3,10,13H2,1H3/b16-11+
InChIKey	BJBJDFUOVJYLJK-LFIBNONCSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_11628_5830
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: F26355; Labnumber: NNA-V-27073