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1-(3,5-dimethyl-1-pyrazolyl)-2-nitroethanone
SpectraBase Compound ID AilyFaxeaNW
InChI InChI=1S/C7H9N3O3/c1-5-3-6(2)10(8-5)7(11)4-9(12)13/h3H,4H2,1-2H3
InChIKey PBFUZPHNHLEIDX-UHFFFAOYSA-N
Mol Weight 183.17 g/mol
Molecular Formula C7H9N3O3
Exact Mass 183.064391 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1qN0mFFe1Pw
Name 1-(3,5-dimethyl-1-pyrazolyl)-2-nitroethanone
Alternate Name(s) 1-(3,5-dimethylpyrazol-1-yl)-2-nitro-ethanone 3,5-Dimethyl-1-(nitroacetyl)-1H-pyrazole N-Nitroacetyl-3,5-dimethylpyrazole
CAS Registry Number 98548-18-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H9N3O3
InChI InChI=1S/C7H9N3O3/c1-5-3-6(2)10(8-5)7(11)4-9(12)13/h3H,4H2,1-2H3
InChIKey PBFUZPHNHLEIDX-UHFFFAOYSA-N
Molecular Weight 183.167 g/mol
SMILES C([n]1nc(C)cc1C)(CN(=O)=O)=O
SPLASH splash10-0002-9200000000-77a2522bf7fc281d45a4
Source of Spectrum QF-46-542-7
Wiley ID 833603