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(Z)-[(Ethoxycarbonyl)methylene]bicyclo[3.2.2]nona-3,6-dien-2-one isomer
SpectraBase Compound ID HixjF7rLP5n
InChI InChI=1S/C13H14O3/c1-2-16-13(15)8-10-7-9-3-5-11(10)12(14)6-4-9/h3-6,8-9,11H,2,7H2,1H3/b10-8-
InChIKey RQQJGRUXKVXCTN-NTMALXAHSA-N
Mol Weight 218.25 g/mol
Molecular Formula C13H14O3
Exact Mass 218.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EpdJ9ZhYOnZ
Name (Z)-[(Ethoxycarbonyl)methylene]bicyclo[3.2.2]nona-3,6-dien-2-one isomer
Comments Less than 3 mono-isotopic peaks
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Formula C13H14O3
InChI InChI=1S/C13H14O3/c1-2-16-13(15)8-10-7-9-3-5-11(10)12(14)6-4-9/h3-6,8-9,11H,2,7H2,1H3/b10-8-
InChIKey RQQJGRUXKVXCTN-NTMALXAHSA-N
Molecular Weight 218.252 g/mol
SMILES C12\C(CC(C=C2)C=CC1=O)=C/C(=O)OCC
SPLASH splash10-004i-9020000000-0b4f805d234e661c09c3
Source of Spectrum F-49-6734-6
Wiley ID 1217796