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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 Ik1WBPauBJz
Name 1-(3,5,5-trimethyl-1-cyclohex-2-enyl)-2-propanone
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 splash10-0a4i-0900000000-9a5d931b3d511c8a31db
Source of Spectrum J-64-2748-61
Synonyms 1-(3,5,5-trimethylcyclohex-2-en-1-yl)acetone 1-(3,5,5-trimethylcyclohex-2-en-1-yl)propan-2-one
Wiley ID 1529974