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7-C-phenyl-D-gluco-hept-2-enono-.gamma.lactone
SpectraBase Compound ID Hai4soqKeIm
InChI InChI=1S/C13H14O5/c14-10-7-6-9(18-10)12(16)13(17)11(15)8-4-2-1-3-5-8/h1-7,9,11-13,15-17H/t9-,11+,12+,13+/m0/s1
InChIKey FJBARMGOBUNTIH-WKSBVSIWSA-N
Mol Weight 250.25 g/mol
Molecular Formula C13H14O5
Exact Mass 250.084124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8cEgb42bvQF
Name 7-C-phenyl-D-gluco-hept-2-enono-.gamma.lactone
Alternate Name(s) 7(R)-Phenyl-5S,6S,7R-trihydroxyhept-2-enono-.gamma.-lactone (5R)-3,4-dihydroxy-5-[(1S)-1-hydroxy-3-phenylpropyl]-2(5H)-furanone (S)-5-((1S,2R,3R)-1,2,3-Trihydroxy-3-phenyl-propyl)-5H-furan-2-one (2S)-2-[(1S,2R,3R)-1,2,3-trihydroxy-3-phenylpropyl]-2H-furan-5-one (2S)-2-[(1S,2R,3R)-1,2,3-tris(oxidanyl)-3-phenyl-propyl]-2H-furan-5-one
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Formula C13H14O5
InChI InChI=1S/C13H14O5/c14-10-7-6-9(18-10)12(16)13(17)11(15)8-4-2-1-3-5-8/h1-7,9,11-13,15-17H/t9-,11+,12+,13+/m0/s1
InChIKey FJBARMGOBUNTIH-WKSBVSIWSA-N
Molecular Weight 250.250 g/mol
SMILES O[C@@]([C@@]([C@@](c1ccccc1)(O)[H])(O)[H])([C@]1(OC(=O)C=C1)[H])[H]
SPLASH splash10-0a4i-1900000000-b4eb7cda8d9719871643
Source of Spectrum J-60-3129-20
Wiley ID 1253112