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(2R,3R,4S)-(2,3-Dimethyl-5-oxo-4-(phenylthio)-tetrahydrofuran-3-yl)acetic acid
SpectraBase Compound ID 1aOy5WUoQK3
InChI InChI=1S/C14H16O4S/c1-9-14(2,8-11(15)16)12(13(17)18-9)19-10-6-4-3-5-7-10/h3-7,9,12H,8H2,1-2H3,(H,15,16)/t9-,12-,14-/m1/s1
InChIKey UPOIYRIZDADPHN-GAJTVXKRSA-N
Mol Weight 280.34 g/mol
Molecular Formula C14H16O4S
Exact Mass 280.07693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AsL5qJrQVF8
Name (2R,3R,4S)-(2,3-Dimethyl-5-oxo-4-(phenylthio)-tetrahydrofuran-3-yl)acetic acid
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Formula C14H16O4S
InChI InChI=1S/C14H16O4S/c1-9-14(2,8-11(15)16)12(13(17)18-9)19-10-6-4-3-5-7-10/h3-7,9,12H,8H2,1-2H3,(H,15,16)/t9-,12-,14-/m1/s1
InChIKey UPOIYRIZDADPHN-GAJTVXKRSA-N
Molecular Weight 280.338 g/mol
SMILES OC(C[C@]1([C@@](C(=O)O[C@@]1(C)[H])(Sc1ccccc1)[H])C)=O
SPLASH splash10-014i-9650000000-f34268deb9b377f27615
Source of Spectrum QC-6-1155-9
Synonyms (2R,3R,4S/R)-(2,3-Dimethyl-5-oxo-4-(phenylthio)-tetrahydrofuran-3-yl)acetic acid 2-[(2R,3R,4S)-2,3-dimethyl-5-oxo-4-(phenylsulfanyl)oxolan-3-yl]acetic acid
Wiley ID 868922