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Elsholtzia ketone
SpectraBase Compound ID 23nx5t9pGpi
InChI InChI=1S/C10H14O2/c1-7(2)6-9(11)10-8(3)4-5-12-10/h4-5,7H,6H2,1-3H3
InChIKey MYPGRLGQLDFZMK-UHFFFAOYSA-N
Mol Weight 166.22 g/mol
Molecular Formula C10H14O2
Exact Mass 166.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J4oS4h2WuGn
Name 1-Butanone, 3-methyl-1-(3-methyl-2-furanyl)-
CAS Registry Number 488-05-1
Comments Less than 3 mono-isotopic peaks
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Formula C10H14O2
InChI InChI=1S/C10H14O2/c1-7(2)6-9(11)10-8(3)4-5-12-10/h4-5,7H,6H2,1-3H3
InChIKey MYPGRLGQLDFZMK-UHFFFAOYSA-N
Molecular Weight 166.220 g/mol
SMILES Cc1ccoc1C(CC(C)C)=O
SPLASH splash10-0a4i-0900000000-240fcf80b76fd68f5908
Source of Spectrum Y-21-131-0
Synonyms Elsholtzione 3-Methyl-1-(3-methyl-2-furyl)-1-butanone 3-methyl-1-(3-methyl-2-furanyl)-1-butanone 3-methyl-1-(3-methyl-2-furyl)butan-1-one 3-methyl-1-(3-methylfuran-2-yl)butan-1-one Elsholtzia ketone
Wiley ID 1162447