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CHEBI:174791 - 4'-tert-Butyl-2',6'-dimethyl-3',5'-dinitroacetophenone

ChEBI IDCHEBI:174791
ChEBI Name4'-tert-Butyl-2',6'-dimethyl-3',5'-dinitroacetophenone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H18N2O5
Net Charge0
Average Mass294.307
Monoisotopic Mass294.12157
SMILESCC(=O)c1c(C)c([N+](=O)[O-])c(C(C)(C)C)c([N+](=O)[O-])c1C
InChIInChI=1S/C14H18N2O5/c1-7-10(9(3)17)8(2)13(16(20)21)11(14(4,5)6)12(7)15(18)19/h1-6H3
InChIKeyWXCMHFPAUCOJIG-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4'-tert-Butyl-2',6'-dimethyl-3',5'-dinitroacetophenone (CHEBI:174791) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)ethanone
Manual XrefsDatabases
HMDB0031865HMDB
6417ChemSpider
Registry NumbersSources
CAS:81-14-1ChemIDplus