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(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetic acid
SpectraBase Compound ID qKZIHAKcG
InChI InChI=1S/C6H6ClN3O4/c1-3-5(7)6(10(13)14)8-9(3)2-4(11)12/h2H2,1H3,(H,11,12)
InChIKey ARQFVRQZKJYVKU-UHFFFAOYSA-N
Mol Weight 219.58 g/mol
Molecular Formula C6H6ClN3O4
Exact Mass 219.004683 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ASy30AITKwv
Name (4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetic acid
Alternate Name(s) (4-chloro-5-methyl-3-nitro-pyrazol-1-yl)-acetic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H6ClN3O4
InChI InChI=1S/C6H6ClN3O4/c1-3-5(7)6(10(13)14)8-9(3)2-4(11)12/h2H2,1H3,(H,11,12)
InChIKey ARQFVRQZKJYVKU-UHFFFAOYSA-N
Molecular Weight 219.584 g/mol
SMILES OC(C[n]1c(c(Cl)c(n1)N(=O)=O)C)=O
SPLASH splash10-010c-9410000000-fb4dd3c903646c8d58d0
Wiley ID 1456395