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(R*,R*)-2-(1-Hydroxy-1-phenylmethyl)-6-hexanolide
SpectraBase Compound ID FFVxUcFaukd
InChI InChI=1S/C13H16O3/c14-12(10-6-2-1-3-7-10)11-8-4-5-9-16-13(11)15/h1-3,6-7,11-12,14H,4-5,8-9H2/t11-,12+/m1/s1
InChIKey HTDDOKFOTUQTNP-NEPJUHHUSA-N
Mol Weight 220.27 g/mol
Molecular Formula C13H16O3
Exact Mass 220.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C1zdLqjFQsK
Name (R*,R*)-2-(1-Hydroxy-1-phenylmethyl)-6-hexanolide
Comments Less than 3 mono-isotopic peaks
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Formula C13H16O3
InChI InChI=1S/C13H16O3/c14-12(10-6-2-1-3-7-10)11-8-4-5-9-16-13(11)15/h1-3,6-7,11-12,14H,4-5,8-9H2/t11-,12+/m1/s1
InChIKey HTDDOKFOTUQTNP-NEPJUHHUSA-N
Molecular Weight 220.268 g/mol
SMILES O[C@]([C@@]1(C(OCCCC1)=O)[H])(c1ccccc1)[H]
SPLASH splash10-03di-0900000000-75bf0678fac65ff49052
Source of Spectrum E1-39-2865-6
Synonyms (3R)-3-[(R)-hydroxy(phenyl)methyl]-2-oxepanone
Wiley ID 1519158