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3-Ethenyl-2-[furan-3-yl(hydroxy)methyl]-5,5-dimethylcyclopentanone isomer
SpectraBase Compound ID 8fSzIFjpVJ0
InChI InChI=1S/C14H18O3/c1-4-9-7-14(2,3)13(16)11(9)12(15)10-5-6-17-8-10/h4-6,8-9,11-12,15H,1,7H2,2-3H3/t9-,11-,12-/m1/s1
InChIKey FRPSETXPYDSQGA-YUSALJHKSA-N
Mol Weight 234.29 g/mol
Molecular Formula C14H18O3
Exact Mass 234.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Am5xFQjqZvd
Name 3-Ethenyl-2-[furan-3-yl(hydroxy)methyl]-5,5-dimethylcyclopentanone isomer
Alternate Name(s) (4S,5R)-4-ethenyl-5-[(S)-3-furanyl(hydroxy)methyl]-2,2-dimethyl-1-cyclopentanone (4S,5R)-4-ethenyl-5-[(S)-furan-3-yl(hydroxy)methyl]-2,2-dimethylcyclopentan-1-one (4S,5R)-4-ethenyl-5-[(S)-furan-3-yl(oxidanyl)methyl]-2,2-dimethyl-cyclopentan-1-one
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Formula C14H18O3
InChI InChI=1S/C14H18O3/c1-4-9-7-14(2,3)13(16)11(9)12(15)10-5-6-17-8-10/h4-6,8-9,11-12,15H,1,7H2,2-3H3/t9-,11-,12-/m1/s1
InChIKey FRPSETXPYDSQGA-YUSALJHKSA-N
Molecular Weight 234.295 g/mol
SMILES O[C@](c1cocc1)([C@@]1(C(C(C)(C)C[C@]1(C=C)[H])=O)[H])[H]
SPLASH splash10-0fkj-9810000000-f14002615163983dc26a
Source of Spectrum AT-38-5059-6
Wiley ID 853958