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benzoic acid, 4-(1,3-dihydro-4-nitro-1,3-dioxo-2H-isoindol-2-yl)-, heptyl ester

View entire compound with spectra: 1 NMR

benzoic acid, 4-(1,3-dihydro-4-nitro-1,3-dioxo-2H-isoindol-2-yl)-, heptyl ester
SpectraBase Compound ID 2vjKbop7tml
InChI InChI=1S/C22H22N2O6/c1-2-3-4-5-6-14-30-22(27)15-10-12-16(13-11-15)23-20(25)17-8-7-9-18(24(28)29)19(17)21(23)26/h7-13H,2-6,14H2,1H3
InChIKey ZVWSITYHKBCOFK-UHFFFAOYSA-N
Mol Weight 410.43 g/mol
Molecular Formula C22H22N2O6
Exact Mass 410.147786 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EKb9Jjdase2
Name benzoic acid, 4-(1,3-dihydro-4-nitro-1,3-dioxo-2H-isoindol-2-yl)-, heptyl 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/C22H22N2O6/c1-2-3-4-5-6-14-30-22(27)15-10-12-16(13-11-15)23-20(25)17-8-7-9-18(24(28)29)19(17)21(23)26/h7-13H,2-6,14H2,1H3
InChIKey ZVWSITYHKBCOFK-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_4514
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: AG-205/5068838; Labnumber: AI-10329; IOH_ID: IOH-011517