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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 C6H5D3N2O3
Exact Mass 159.072322 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LxNmSqN0xpG
Name 1H-Pyrazole-3-carboxylic acid, 5-hydroxy-1-methyl-, methyl-d3 ester
CAS Registry Number 70609-06-2
Comments Less than 3 mono-isotopic peaks
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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
Molecular Weight 159.159 g/mol
SMILES Oc1cc(n[n]1C)C(=O)OC([D])([D])[D]
SPLASH splash10-0a6r-0900000000-5d57475666eb35206a24
Source of Spectrum K-116-1523-0
Synonyms Trideuteromethyl ester of hydroxy-1-methyl pyrazolocarboxylic acid
Wiley ID 1153129