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2-(4-Iodo-3,5-dimethyl-pyrazol-1-yl)-succinic acid

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-(4-Iodo-3,5-dimethyl-pyrazol-1-yl)-succinic acid
SpectraBase Compound ID 7D3WLNcKjCf
InChI InChI=1S/C9H11IN2O4/c1-4-8(10)5(2)12(11-4)6(9(15)16)3-7(13)14/h6H,3H2,1-2H3,(H,13,14)(H,15,16)
InChIKey CZYKXQRLUCGMLZ-UHFFFAOYSA-N
Mol Weight 338.1 g/mol
Molecular Formula C9H11IN2O4
Exact Mass 337.976352 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CoezhZyVvsu
Name butanedioic acid, 2-(4-iodo-3,5-dimethyl-1H-pyrazol-1-yl)-
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/C9H11IN2O4/c1-4-8(10)5(2)12(11-4)6(9(15)16)3-7(13)14/h6H,3H2,1-2H3,(H,13,14)(H,15,16)
InChIKey CZYKXQRLUCGMLZ-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_CB_8313_494
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/8325722; Labnumber: GRA-0000001
Temperature 303 °C