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benzoic acid, 4-(5-bromo-1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-, heptyl ester

View entire compound with spectra: 1 NMR

benzoic acid, 4-(5-bromo-1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-, heptyl ester
SpectraBase Compound ID BSVNm0X0WNS
InChI InChI=1S/C22H22BrNO4/c1-2-3-4-5-6-13-28-22(27)15-7-10-17(11-8-15)24-20(25)18-12-9-16(23)14-19(18)21(24)26/h7-12,14H,2-6,13H2,1H3
InChIKey LNBPNFPHPLKJNI-UHFFFAOYSA-N
Mol Weight 444.33 g/mol
Molecular Formula C22H22BrNO4
Exact Mass 443.073221 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IDjfrQ6o3dX
Name benzoic acid, 4-(5-bromo-1,3-dihydro-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/C22H22BrNO4/c1-2-3-4-5-6-13-28-22(27)15-7-10-17(11-8-15)24-20(25)18-12-9-16(23)14-19(18)21(24)26/h7-12,14H,2-6,13H2,1H3
InChIKey LNBPNFPHPLKJNI-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_4507
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-205/5068797; Labnumber: AI-10310; IOH_ID: IOH-011510