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2-(1-Methyl-2-nitro-ethyl)cyclohexanone
SpectraBase Compound ID BJGLi98SdCU
InChI InChI=1S/C9H15NO3/c1-7(6-10(12)13)8-4-2-3-5-9(8)11/h7-8H,2-6H2,1H3
InChIKey XOYCTTIZLUXQMU-UHFFFAOYSA-N
Mol Weight 185.22 g/mol
Molecular Formula C9H15NO3
Exact Mass 185.105193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BS409z3ul48
Name 2-(1-methyl-2-nitro-ethyl)cyclohexanone
Alternate Name(s) 2-(1-Methyl-2-nitroethyl)cyclohexanone 2-(1-nitropropan-2-yl)-1-cyclohexanone 2-(1-nitropropan-2-yl)cyclohexan-1-one Cyclohexanone, 2-(1-methyl-2-nitroethyl)-
CAS Registry Number 79719-50-9
Comments Less than 3 mono-isotopic peaks
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Formula C9H15NO3
InChI InChI=1S/C9H15NO3/c1-7(6-10(12)13)8-4-2-3-5-9(8)11/h7-8H,2-6H2,1H3
InChIKey XOYCTTIZLUXQMU-UHFFFAOYSA-N
Molecular Weight 185.223 g/mol
SMILES C(N(=O)=O)C(C1C(=O)CCCC1)C
SPLASH splash10-0002-9000000000-b4df8cc75d4ff4fb015f
Source of Spectrum I-65-847-0
Wiley ID 1181830