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1-(3,5,5-trimethyl-1-cyclohex-2-enyl)-2-propanone
SpectraBase Compound ID 6iSZ71gGstf
InChI InChI=1S/C12H20O/c1-9-5-11(6-10(2)13)8-12(3,4)7-9/h5,11H,6-8H2,1-4H3
InChIKey MGJVDGQTRTVPQA-UHFFFAOYSA-N
Mol Weight 180.29 g/mol
Molecular Formula C12H20O
Exact Mass 180.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9DkHU4zlrV7
Name 1-(3,5,5-trimethyl-1-cyclohex-2-enyl)-2-propanone
Alternate Name(s) 1-(3,5,5-trimethylcyclohex-2-en-1-yl)acetone 1-(3,5,5-trimethylcyclohex-2-en-1-yl)propan-2-one
Comments Less than 3 mono-isotopic peaks
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Formula C12H20O
InChI InChI=1S/C12H20O/c1-9-5-11(6-10(2)13)8-12(3,4)7-9/h5,11H,6-8H2,1-4H3
InChIKey MGJVDGQTRTVPQA-UHFFFAOYSA-N
Molecular Weight 180.291 g/mol
SMILES C1(=CC(CC(=O)C)CC(C1)(C)C)C
SPLASH splash10-001i-9000000000-e44979c545d7069d734f
Source of Spectrum J-64-2749-66
Wiley ID 1529969