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Bicyclo[5.4.2]trideca-1(11),8,12-triene-4-one
SpectraBase Compound ID EeUFIon1Gpu
InChI InChI=1S/C13H16O/c14-13-9-7-11-3-1-2-4-12(6-5-11)8-10-13/h1,3-6,11H,2,7-10H2/b3-1-,6-5-,12-4+
InChIKey YABHIGVYOCHGGM-BWKCCLSMSA-N
Mol Weight 188.27 g/mol
Molecular Formula C13H16O
Exact Mass 188.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GauK3rje3Js
Name Bicyclo[5.4.2]trideca-1(11),8,12-triene-4-one
Alternate Name(s) bicyclo[5.4.2]trideca-7,10,12-trien-4-one
Comments Less than 3 mono-isotopic peaks
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Formula C13H16O
InChI InChI=1S/C13H16O/c14-13-9-7-11-3-1-2-4-12(6-5-11)8-10-13/h1,3-6,11H,2,7-10H2/b3-1-,6-5-,12-4+
InChIKey YABHIGVYOCHGGM-BWKCCLSMSA-N
Molecular Weight 188.270 g/mol
SMILES C12\C=C/C(CCC(CC2)=O)=C\C\C=C/1
SPLASH splash10-03di-0900000000-05c6a0747c177310fcce
Source of Spectrum Y1-31-66-2
Wiley ID 1525814