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4-t-Butyl-2-(1-methyl-2-nitroethyl)cyclohexanone
SpectraBase Compound ID GdjULyDlxgY
InChI InChI=1S/C13H23NO3/c1-9(8-14(16)17)11-7-10(13(2,3)4)5-6-12(11)15/h9-11H,5-8H2,1-4H3
InChIKey ANHQMMGUJDQQGA-UHFFFAOYSA-N
Mol Weight 241.33 g/mol
Molecular Formula C13H23NO3
Exact Mass 241.167794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 92LAK21PGaj
Name 4-t-Butyl-2-(1-methyl-2-nitroethyl)cyclohexanone
Alternate Name(s) 4-tert-Butyl-2-(1-methyl-2-nitro-ethyl)cyclohexanone 4-tert-Butyl-2-(1-nitropropan-2-yl)-1-cyclohexanone 4-tert-Butyl-2-(1-nitropropan-2-yl)cyclohexan-1-one
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Formula C13H23NO3
InChI InChI=1S/C13H23NO3/c1-9(8-14(16)17)11-7-10(13(2,3)4)5-6-12(11)15/h9-11H,5-8H2,1-4H3
InChIKey ANHQMMGUJDQQGA-UHFFFAOYSA-N
Molecular Weight 241.331 g/mol
SMILES CC(C)(C)C1CC(C(CC1)=O)C(C)CN(=O)=O
SPLASH splash10-0a4i-9200000000-75b085954f51d070dc82
Wiley ID 1482453