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(5S,6R)-5-(3-CHLOROPHENYL)-5-HYDROXY-6-METHYL-5,6-DIHYDROPYRAN-2-ONE
SpectraBase Compound ID 39fi6y4GU3K
InChI InChI=1S/C12H11ClO3/c1-8-12(15,6-5-11(14)16-8)9-3-2-4-10(13)7-9/h2-8,15H,1H3/t8-,12-/m1/s1
InChIKey SQBNWFUZLDEOEL-PRHODGIISA-N
Mol Weight 238.67 g/mol
Molecular Formula C12H11ClO3
Exact Mass 238.039672 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7eulDPS2SId
Name (2R,3S)-3-(3-chlorophenyl)-2-methyl-3-oxidanyl-2H-pyran-6-one
Comments Less than 3 mono-isotopic peaks
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Formula C12H11ClO3
InChI InChI=1S/C12H11ClO3/c1-8-12(15,6-5-11(14)16-8)9-3-2-4-10(13)7-9/h2-8,15H,1H3/t8-,12-/m1/s1
InChIKey SQBNWFUZLDEOEL-PRHODGIISA-N
Molecular Weight 238.670 g/mol
SMILES O[C@@]1(C=CC(O[C@@]1(C)[H])=O)c1cc(Cl)ccc1
SPLASH splash10-001l-0900000000-7e17d5696f0786200e83
Source of Spectrum F-68-803-10
Synonyms (2R,3S)-3-(3-chlorophenyl)-3-hydroxy-2-methyl-2H-pyran-6-one
Wiley ID 1571686