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4-iodo-1-methyl-1H-pyrazole-3-carboxylic acid
SpectraBase Compound ID 4phrAP3DJ78
InChI InChI=1S/C5H5IN2O2/c1-8-2-3(6)4(7-8)5(9)10/h2H,1H3,(H,9,10)
InChIKey UQPXGRAYQOWZOD-UHFFFAOYSA-N
Mol Weight 252.01 g/mol
Molecular Formula C5H5IN2O2
Exact Mass 251.939572 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JoiEl49x0jM
Name 4-Iodo-1-methyl-1H-pyrazole-3-carboxylic acid
Alternate Name(s) 4-iodanyl-1-methyl-pyrazole-3-carboxylic acid 4-iodo-1-methyl-3-pyrazolecarboxylic acid 4-iodo-1-methyl-pyrazole-3-carboxylic acid Pyrazole-3-carboxylic acid, 4-iodo-1-methyl-
CAS Registry Number 6647-98-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H5IN2O2
InChI InChI=1S/C5H5IN2O2/c1-8-2-3(6)4(7-8)5(9)10/h2H,1H3,(H,9,10)
InChIKey UQPXGRAYQOWZOD-UHFFFAOYSA-N
Molecular Weight 252.011 g/mol
SMILES OC(c1c(c[n](n1)C)I)=O
SPLASH splash10-0udl-9250000000-a2360cf5e8917f5af1b7
Source of Spectrum AD-0-2532-0
Wiley ID 1433914