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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
Mol Weight 395.41 g/mol
Molecular Formula C22H21NO6
Exact Mass 395.136887 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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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