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5-Hydroxy-1-methyl-3-pyrazole carboxylic acid-[D3]methylester
SpectraBase Compound ID IquwY9g6SIK
InChI InChI=1S/C6H8N2O3/c1-8-5(9)3-4(7-8)6(10)11-2/h3,9H,1-2H3/i2D3
InChIKey IWOKRTHKTAEDLP-BMSJAHLVSA-N
Mol Weight 159.16 g/mol
Molecular Formula C6H52D3N2O3
Exact Mass 159.072322 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AhW0xQFmvpa
Name 5-Hydroxy-1-methyl-3-pyrazole carboxylic acid-[D3]methylester
Alternate Name(s) Methyl-d3 5-hydroxy-1-methyl-1H-pyrazole-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H5D3N2O3
InChI InChI=1S/C6H8N2O3/c1-8-5(9)3-4(7-8)6(10)11-2/h3,9H,1-2H3/i2D3
InChIKey IWOKRTHKTAEDLP-BMSJAHLVSA-N
Literature Reference DOI 10.1002/cber.19791120521
Molecular Weight 159.159 g/mol
SMILES Oc1[n](nc(c1)C(=O)OC([2D])([2D])[2D])C
SPLASH splash10-0adi-1900000000-cad4d85e4868d89ea4f2
Source of Spectrum K-112-1717-1717_5
Wiley ID 1794329