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3,5-Pyrazoledicarboxylic acid monohydrate
SpectraBase Compound ID CcoS53qiqXl
InChI InChI=1S/C5H4N2O4.O/c8-4(9)2-1-3(5(10)11)7-6-2;/h1H,(H,6,7)(H,8,9)(H,10,11);
InChIKey ONUMCMWCPZWXPO-UHFFFAOYSA-N
Mol Weight 172.1 g/mol
Molecular Formula C5H4N2O5
Exact Mass 172.012021 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JW0grqO4A9A
Name 3,5-Pyrazoledicarboxylic acid monohydrate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number P56801
CAS Registry Number 303180-11-2
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H4N2O5
InChI InChI=1S/C5H4N2O4.O/c8-4(9)2-1-3(5(10)11)7-6-2;/h1H,(H,6,7)(H,8,9)(H,10,11);
InChIKey ONUMCMWCPZWXPO-UHFFFAOYSA-N
Observed nucleus 1H
Purity 97%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 1H-pyrazole-3,5-dicarboxylic Acid Hydrate 3,5-Pyrazoledicarboxylic acid monohydrate
Wiley ID SIAL_1HNMR_012592