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1H-Pyrazole, 1-[4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-1-oxobutyl]-4-iodo-3,5-dimethyl-
SpectraBase Compound ID 1sU0Nsusarw
InChI InChI=1S/C14H18IN5O3/c1-8-13(15)10(3)19(17-8)12(21)6-5-7-18-11(4)14(20(22)23)9(2)16-18/h5-7H2,1-4H3
InChIKey KGXSNDGHATYOFK-UHFFFAOYSA-N
Mol Weight 431.23 g/mol
Molecular Formula C14H18IN5O3
Exact Mass 431.045434 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8P9r7zWePqh
Name 1H-Pyrazole, 1-[4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-1-oxobutyl]-4-iodo-3,5-dimethyl-
Alternate Name(s) 4-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-(4-iodo-3,5-dimethyl-1-pyrazolyl)-1-butanone 4-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-(4-iodo-3,5-dimethylpyrazol-1-yl)butan-1-one 4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-(4-iodanyl-3,5-dimethyl-pyrazol-1-yl)butan-1-one
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Formula C14H18IN5O3
InChI InChI=1S/C14H18IN5O3/c1-8-13(15)10(3)19(17-8)12(21)6-5-7-18-11(4)14(20(22)23)9(2)16-18/h5-7H2,1-4H3
InChIKey KGXSNDGHATYOFK-UHFFFAOYSA-N
Molecular Weight 431.234 g/mol
SMILES c1([n](nc(c1I)C)C(=O)CCC[n]1nc(c(c1C)N(=O)=O)C)C
SPLASH splash10-03di-9380000000-98a8a3eebbf0ce43e4a5
Source of Spectrum IY-1-4588-5
Wiley ID 1653868