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5,5-DIMETHYL-3-(1-NITROETHYL)-CYClOHEXANONE;DIASTEREOMER-#1
SpectraBase Compound ID 8cHgDoPI8A9
InChI InChI=1S/C10H17NO3/c1-7(11(13)14)8-4-9(12)6-10(2,3)5-8/h7-8H,4-6H2,1-3H3
InChIKey QTCXBDJOXMEEED-UHFFFAOYSA-N
Mol Weight 199.25 g/mol
Molecular Formula C10H17NO3
Exact Mass 199.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hyhg2RmHFgn
Name 5,5-Dimethyl-3-(1-nitroethyl)cyclohexanone
Alternate Name(s) 3,3-Dimethyl-5-(1-nitroethyl)cyclohexanone
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Formula C10H17NO3
InChI InChI=1S/C10H17NO3/c1-7(11(13)14)8-4-9(12)6-10(2,3)5-8/h7-8H,4-6H2,1-3H3
InChIKey QTCXBDJOXMEEED-UHFFFAOYSA-N
Molecular Weight 199.250 g/mol
SMILES C(N(=O)=O)(C1CC(C)(C)CC(C1)=O)C
SPLASH splash10-0a5d-8900000000-e9e40d0f5dc4c5ea3697
Source of Spectrum B-48-1827-0
Wiley ID 1196676