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4-(2-Chloroethyl)-1-(2,4-dinitrophenyl)-3,5-dimethyl-1H-pyrazole
SpectraBase Compound ID Kd1UTepmFzC
InChI InChI=1S/C13H13ClN4O4/c1-8-11(5-6-14)9(2)16(15-8)12-4-3-10(17(19)20)7-13(12)18(21)22/h3-4,7H,5-6H2,1-2H3
InChIKey XQRFTLAESYXNET-UHFFFAOYSA-N
Mol Weight 324.72 g/mol
Molecular Formula C13H13ClN4O4
Exact Mass 324.062533 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2YNqqGjk6y
Name 4-(2-Chloroethyl)-1-(2,4-dinitrophenyl)-3,5-dimethyl-1H-pyrazole
Alternate Name(s) Pyrazole,4-(2-chloroethyl)-3,5-dimethyl-1-(2,4-dinitrophenyl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13ClN4O4
InChI InChI=1S/C13H13ClN4O4/c1-8-11(5-6-14)9(2)16(15-8)12-4-3-10(17(19)20)7-13(12)18(21)22/h3-4,7H,5-6H2,1-2H3
InChIKey XQRFTLAESYXNET-UHFFFAOYSA-N
Molecular Weight 324.724 g/mol
SMILES C(Cl)Cc1c([n](nc1C)-c1c(N(=O)=O)cc(N(=O)=O)cc1)C
SPLASH splash10-002o-9310000000-ae1e7453ea2ebbbe7ba8
Wiley ID 1451266