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1H-pyrazole-4,5-dicarboxylic acid, 3-[(3,6-dichloro-2-pyridinyl)carbonyl]-, dimethyl ester
SpectraBase Compound ID 3SQUVTklFUi
InChI InChI=1S/C13H9Cl2N3O5/c1-22-12(20)7-9(17-18-10(7)13(21)23-2)11(19)8-5(14)3-4-6(15)16-8/h3-4H,1-2H3,(H,17,18)
InChIKey KQLLIUUHNFZQRW-UHFFFAOYSA-N
Mol Weight 358.14 g/mol
Molecular Formula C13H9Cl2N3O5
Exact Mass 356.991926 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID J0zKEYlz2pV
Name 1H-pyrazole-4,5-dicarboxylic acid, 3-[(3,6-dichloro-2-pyridinyl)carbonyl]-, dimethyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 356.991925797 u
Formula C13H9Cl2N3O5
InChI InChI=1S/C13H9Cl2N3O5/c1-22-12(20)7-9(17-18-10(7)13(21)23-2)11(19)8-5(14)3-4-6(15)16-8/h3-4H,1-2H3,(H,17,18)
InChIKey KQLLIUUHNFZQRW-UHFFFAOYSA-N
Molecular Weight 358.137 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_15377
Solvent DMSO-d6
Source Vendor ID: NMR/10301515; Lab Info: SIP; Lab Number: SIP-0075