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3-[(2S,3S,4S,5R)-3,4-bis(oxidanyl)-5-phenyl-oxolan-2-yl]propanoic acid
SpectraBase Compound ID L4sDPWvZdXt
InChI InChI=1S/C13H16O5/c14-10(15)7-6-9-11(16)12(17)13(18-9)8-4-2-1-3-5-8/h1-5,9,11-13,16-17H,6-7H2,(H,14,15)/t9-,11+,12-,13+/m0/s1
InChIKey DMWBSIRGIHKQTP-ZBAXXZLZSA-N
Mol Weight 252.27 g/mol
Molecular Formula C13H16O5
Exact Mass 252.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LQRakn9JvTd
Name 3-[(2S,3S,4S,5R)-3,4-bis(oxidanyl)-5-phenyl-oxolan-2-yl]propanoic acid
Alternate Name(s) 3-[(2S,3S,4S,5R)-3,4-dihydroxy-5-phenyl-2-oxolanyl]propanoic acid 3-[(2S,3S,4S,5R)-3,4-dihydroxy-5-phenyl-tetrahydrofuran-2-yl]propanoic acid 3-[(2S,3S,4S,5R)-3,4-dihydroxy-5-phenyl-tetrahydrofuran-2-yl]propionic acid 3-[(2S,3S,4S,5R)-3,4-dihydroxy-5-phenyloxolan-2-yl]propanoic acid
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Formula C13H16O5
InChI InChI=1S/C13H16O5/c14-10(15)7-6-9-11(16)12(17)13(18-9)8-4-2-1-3-5-8/h1-5,9,11-13,16-17H,6-7H2,(H,14,15)/t9-,11+,12-,13+/m0/s1
InChIKey DMWBSIRGIHKQTP-ZBAXXZLZSA-N
Molecular Weight 252.266 g/mol
SMILES O[C@]1([C@@]([C@](CCC(=O)O)(O[C@@]1(c1ccccc1)[H])[H])(O)[H])[H]
SPLASH splash10-0fsi-0090000000-0e4e1cf43748a8848967
Source of Spectrum F-54-2147-3
Wiley ID 805993