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(2S,3R,4S)-2-Hydroxy-4-methyl-3-phenyl-.delta.-valerolactone
SpectraBase Compound ID AKW0WMWUnLY
InChI InChI=1S/C12H14O3/c1-8-7-15-12(14)11(13)10(8)9-5-3-2-4-6-9/h2-6,8,10-11,13H,7H2,1H3/t8-,10-,11+/m1/s1
InChIKey ARHQMEFTAIHGRG-IEBDPFPHSA-N
Mol Weight 206.24 g/mol
Molecular Formula C12H14O3
Exact Mass 206.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GA4ZpMq5uwl
Name (2S,3R,4S)-2-Hydroxy-4-methyl-3-phenyl-.delta.-valerolactone
Alternate Name(s) (3S,4R,5S)-3-hydroxy-5-methyl-4-phenyl-2-oxanone (3S,4R,5S)-3-hydroxy-5-methyl-4-phenyloxan-2-one (3S,4R,5S)-5-methyl-3-oxidanyl-4-phenyl-oxan-2-one
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Formula C12H14O3
InChI InChI=1S/C12H14O3/c1-8-7-15-12(14)11(13)10(8)9-5-3-2-4-6-9/h2-6,8,10-11,13H,7H2,1H3/t8-,10-,11+/m1/s1
InChIKey ARHQMEFTAIHGRG-IEBDPFPHSA-N
Molecular Weight 206.241 g/mol
SMILES O[C@@]1(C(OC[C@@](C)([C@@]1(c1ccccc1)[H])[H])=O)[H]
SPLASH splash10-00lr-2900000000-726744fe7fdfecaaa299
Source of Spectrum U1-2002-2911-3
Wiley ID 1522936