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(+-)-O-Benzyl unbelactone
SpectraBase Compound ID 42GbnWu4eH7
InChI InChI=1S/C13H14O3/c1-10-7-13(14)16-12(10)9-15-8-11-5-3-2-4-6-11/h2-7,12H,8-9H2,1H3
InChIKey SXWCRUMVACYHMK-UHFFFAOYSA-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 FsqM25EchsO
Name (+-)-O-Benzyl unbelactone
Alternate Name(s) 2-(benzyloxymethyl)-3-methyl-2H-furan-5-one 3-Methyl-2-(phenylmethoxymethyl)-2H-furan-5-one
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Formula C13H14O3
InChI InChI=1S/C13H14O3/c1-10-7-13(14)16-12(10)9-15-8-11-5-3-2-4-6-11/h2-7,12H,8-9H2,1H3
InChIKey SXWCRUMVACYHMK-UHFFFAOYSA-N
Molecular Weight 218.252 g/mol
SMILES C1(OC(COCc2ccccc2)C(=C1)C)=O
SPLASH splash10-0006-9000000000-1f1c59c83fb3a40ebbd2
Source of Spectrum J-59-3208-14
Wiley ID 1217772