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2-{[(2-tert-butyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbonyl]amino}-5-iodobenzoic acid
SpectraBase Compound ID Jtiurkm5cMt
InChI InChI=1S/C20H17IN2O5/c1-20(2,3)23-17(25)12-6-4-10(8-13(12)18(23)26)16(24)22-15-7-5-11(21)9-14(15)19(27)28/h4-9H,1-3H3,(H,22,24)(H,27,28)
InChIKey ZQTFWKNTWXIXQK-UHFFFAOYSA-N
Mol Weight 492.27 g/mol
Molecular Formula C20H17IN2O5
Exact Mass 492.018217 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3Mp7aquFPD6
Name 2-{[(2-tert-butyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbonyl]amino}-5-iodobenzoic acid
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/C20H17IN2O5/c1-20(2,3)23-17(25)12-6-4-10(8-13(12)18(23)26)16(24)22-15-7-5-11(21)9-14(15)19(27)28/h4-9H,1-3H3,(H,22,24)(H,27,28)
InChIKey ZQTFWKNTWXIXQK-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7000_4759
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: ZI/8129444; Labnumber: LN-0006501; IOH_ID: IOH-004760
Temperature 303 °C