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2-(3,3-dimethylbut-1-ynyl)-3-methyl-1-cyclohex-2-enone
SpectraBase Compound ID EWZ9kiSti4N
InChI InChI=1S/C13H18O/c1-10-6-5-7-12(14)11(10)8-9-13(2,3)4/h5-7H2,1-4H3
InChIKey PZXICXUNQUVRDA-UHFFFAOYSA-N
Mol Weight 190.29 g/mol
Molecular Formula C13H18O
Exact Mass 190.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1cfeVgyjsVN
Name 2-(3,3-dimethylbut-1-ynyl)-3-methyl-1-cyclohex-2-enone
Comments Less than 3 mono-isotopic peaks
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Formula C13H18O
InChI InChI=1S/C13H18O/c1-10-6-5-7-12(14)11(10)8-9-13(2,3)4/h5-7H2,1-4H3
InChIKey PZXICXUNQUVRDA-UHFFFAOYSA-N
Molecular Weight 190.286 g/mol
SMILES C(C1=C(CCCC1=O)C)#CC(C)(C)C
SPLASH splash10-004i-0900000000-36d93db4f87f2eb3d3de
Source of Spectrum J-59-5395-12
Synonyms 2-(3,3-dimethylbut-1-ynyl)-3-methyl-cyclohex-2-en-1-one
Wiley ID 1187104