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1-(2-Chloroethyl)-5-methyl-1H-pyrazole-4-carboxylic acid
SpectraBase Compound ID Jjf8UR6HFW3
InChI InChI=1S/C7H9ClN2O2/c1-5-6(7(11)12)4-9-10(5)3-2-8/h4H,2-3H2,1H3,(H,11,12)
InChIKey JYTUZPJNBZKPHM-UHFFFAOYSA-N
Mol Weight 188.61 g/mol
Molecular Formula C7H9ClN2O2
Exact Mass 188.035255 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AjujfcWDcZg
Name 1-(2-Chloroethyl)-5-methyl-1H-pyrazole-4-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H9ClN2O2
InChI InChI=1S/C7H9ClN2O2/c1-5-6(7(11)12)4-9-10(5)3-2-8/h4H,2-3H2,1H3,(H,11,12)
InChIKey JYTUZPJNBZKPHM-UHFFFAOYSA-N
Molecular Weight 188.614 g/mol
SMILES OC(c1c([n](nc1)CCCl)C)=O
SPLASH splash10-0ky0-9500000000-f4a3640a6900390c8453
Source of Spectrum IY-2-4857-5
Synonyms 1H-Pyrazole-4-carboxylic acid, 1-(2-chloroethyl)-5-methyl- 1-(2-Chloroethyl)-5-methyl-4-pyrazolecarboxylic acid 1-(2-Chloroethyl)-5-methylpyrazole-4-carboxylic acid
Wiley ID 1656798