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Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 2-(3-oxobutyl)-, methyl ester
SpectraBase Compound ID IULoCGtbx4l
InChI InChI=1S/C13H18O3/c1-9(14)5-6-13(12(15)16-2)8-10-3-4-11(13)7-10/h3-4,10-11H,5-8H2,1-2H3
InChIKey PXTXEMAMZUYPBC-UHFFFAOYSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EUJ951300Mr
Name Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 2-(3-oxobutyl)-, methyl ester
Alternate Name(s) Methyl 2-(3-oxobutyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate 5-(3-oxobutyl)-5-bicyclo[2.2.1]hept-2-enecarboxylic acid methyl ester Methyl 5-(3-oxobutyl)bicyclo[2.2.1]hept-2-ene-5-carboxylate Methyl 5-(3-oxidanylidenebutyl)bicyclo[2.2.1]hept-2-ene-5-carboxylate
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Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-9(14)5-6-13(12(15)16-2)8-10-3-4-11(13)7-10/h3-4,10-11H,5-8H2,1-2H3
InChIKey PXTXEMAMZUYPBC-UHFFFAOYSA-N
Molecular Weight 222.284 g/mol
SMILES COC(C1(CCC(C)=O)CC2CC1C=C2)=O
SPLASH splash10-016r-9400000000-25879ecb440692019316
Source of Spectrum JX-2015-0-524
Wiley ID 1720453