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Allyl keto ester

View entire compound with spectra: 1 MS (GC)

Allyl keto ester
SpectraBase Compound ID E6UiKENH17U
InChI InChI=1S/C14H20O3/c1-4-5-14-9(2)6-10(8-12(14)15)7-11(14)13(16)17-3/h4,9-11H,1,5-8H2,2-3H3/t9?,10-,11?,14+/m1/s1
InChIKey BCHPKDXSSXGRNT-GOVJCTDVSA-N
Mol Weight 236.31 g/mol
Molecular Formula C14H20O3
Exact Mass 236.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6NKmtzzzelC
Name Allyl keto ester
Alternate Name(s) Methyl 1-allyl-2-oxo-6-methylbicyclo[2.2.2]octane-7-carboxylate Methyl 1-allyl-6-methyl-7-oxobicyclo[2.2.2]octane-2-carboxylate
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Formula C14H20O3
InChI InChI=1S/C14H20O3/c1-4-5-14-9(2)6-10(8-12(14)15)7-11(14)13(16)17-3/h4,9-11H,1,5-8H2,2-3H3/t9?,10-,11?,14+/m1/s1
InChIKey BCHPKDXSSXGRNT-GOVJCTDVSA-N
Molecular Weight 236.311 g/mol
SMILES [C@@]12(C(C(=O)OC)C[C@@](CC2C)(CC1=O)[H])CC=C
SPLASH splash10-0udi-0910000000-49eeda76eaf0d7eb8b51
Source of Spectrum K1-2001-1884-11
Wiley ID 846338