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(2S)-2-methyl-4-[7-[(2R)-2-oxiranyl]heptyl]-2H-furan-5-one
SpectraBase Compound ID Hul4zf1vtYe
InChI InChI=1S/C14H22O3/c1-11-9-12(14(15)17-11)7-5-3-2-4-6-8-13-10-16-13/h9,11,13H,2-8,10H2,1H3/t11-,13+/m0/s1
InChIKey SSESYBZJBBJQQH-WCQYABFASA-N
Mol Weight 238.33 g/mol
Molecular Formula C14H22O3
Exact Mass 238.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GDJcl4qJW7
Name (2S)-2-methyl-4-[7-[(2R)-2-oxiranyl]heptyl]-2H-furan-5-one
Alternate Name(s) (2S)-2-methyl-4-[7-[(2R)-oxiran-2-yl]heptyl]-2H-furan-5-one
Comments Less than 3 mono-isotopic peaks
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Formula C14H22O3
InChI InChI=1S/C14H22O3/c1-11-9-12(14(15)17-11)7-5-3-2-4-6-8-13-10-16-13/h9,11,13H,2-8,10H2,1H3/t11-,13+/m0/s1
InChIKey SSESYBZJBBJQQH-WCQYABFASA-N
Molecular Weight 238.327 g/mol
SMILES C1(C(=C[C@@](O1)(C)[H])CCCCCCC[C@]1(OC1)[H])=O
SPLASH splash10-00dr-0090000000-16344b61a288ec26530f
Source of Spectrum J-64-2446-29
Wiley ID 1529896