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1H-isoindole-2-acetic acid, alpha-butyl-2,3-dihydro-1,3-dioxo-, 2-(4-nitrophenyl)-2-oxoethyl ester

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1H-isoindole-2-acetic acid, alpha-butyl-2,3-dihydro-1,3-dioxo-, 2-(4-nitrophenyl)-2-oxoethyl ester
SpectraBase Compound ID Ck3dBWJa3OS
InChI InChI=1S/C22H20N2O7/c1-2-3-8-18(23-20(26)16-6-4-5-7-17(16)21(23)27)22(28)31-13-19(25)14-9-11-15(12-10-14)24(29)30/h4-7,9-12,18H,2-3,8,13H2,1H3
InChIKey YDIYFVFUKMAAAZ-UHFFFAOYSA-N
Mol Weight 424.41 g/mol
Molecular Formula C22H20N2O7
Exact Mass 424.127051 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AAb2rdUo0nn
Name 1H-isoindole-2-acetic acid, alpha-butyl-2,3-dihydro-1,3-dioxo-, 2-(4-nitrophenyl)-2-oxoethyl 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/C22H20N2O7/c1-2-3-8-18(23-20(26)16-6-4-5-7-17(16)21(23)27)22(28)31-13-19(25)14-9-11-15(12-10-14)24(29)30/h4-7,9-12,18H,2-3,8,13H2,1H3
InChIKey YDIYFVFUKMAAAZ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_854
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: NMR/11258891