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4-bromo-1-methyl-1H-pyrazole-5-carboxylic acid

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

4-bromo-1-methyl-1H-pyrazole-5-carboxylic acid
SpectraBase Compound ID 8vVyDhD4fx4
InChI InChI=1S/C5H5BrN2O2/c1-8-4(5(9)10)3(6)2-7-8/h2H,1H3,(H,9,10)
InChIKey YXIJCAVZGBGUKM-UHFFFAOYSA-N
Mol Weight 205.01 g/mol
Molecular Formula C5H5BrN2O2
Exact Mass 203.95344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1xmatCthagX
Name 4-Bromo-1-methyl-1H-pyrazole-5-carboxylic acid
Alternate Name(s) 4-Bromanyl-2-methyl-pyrazole-3-carboxylic acid 4-Bromo-2-methyl-2H-pyrazole-3-carboxylic acid 4-Bromo-2-methyl-3-pyrazolecarboxylic acid 4-Bromo-2-methyl-pyrazole-3-carboxylic acid
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Formula C5H5BrN2O2
InChI InChI=1S/C5H5BrN2O2/c1-8-4(5(9)10)3(6)2-7-8/h2H,1H3,(H,9,10)
InChIKey YXIJCAVZGBGUKM-UHFFFAOYSA-N
Molecular Weight 205.011 g/mol
SMILES OC(c1[n](ncc1Br)C)=O
SPLASH splash10-0zgi-8790000000-e21c5a9852b57e95adb5
Wiley ID 1465850