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5-(5-Methyl-2-furyl)hex-1-yn-3-one
SpectraBase Compound ID 4PgnmVLEpIg
InChI InChI=1S/C11H12O2/c1-4-10(12)7-8(2)11-6-5-9(3)13-11/h1,5-6,8H,7H2,2-3H3
InChIKey KOMYKEHQGLLJLA-UHFFFAOYSA-N
Mol Weight 176.21 g/mol
Molecular Formula C11H12O2
Exact Mass 176.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FzAVLnqgZGD
Name 5-(5-Methyl-2-furyl)hex-1-yn-3-one
Alternate Name(s) 5-(5-methyl-2-furanyl)-1-hexyn-3-one 5-(5-methylfuran-2-yl)hex-1-yn-3-one
Comments Less than 3 mono-isotopic peaks
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Formula C11H12O2
InChI InChI=1S/C11H12O2/c1-4-10(12)7-8(2)11-6-5-9(3)13-11/h1,5-6,8H,7H2,2-3H3
InChIKey KOMYKEHQGLLJLA-UHFFFAOYSA-N
Molecular Weight 176.215 g/mol
SMILES C#CC(CC(C)c1oc(cc1)C)=O
SPLASH splash10-0a4i-0900000000-0274d441b055f279fd23
Source of Spectrum QF-9-4344-7
Wiley ID 1558865