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(2R,3S,3aR,6aR)-3-hydroxy-2-[(S)-hydroxy(phenyl)methyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
SpectraBase Compound ID Jui6LbsQu6y
InChI InChI=1S/C13H14O5/c14-9-6-8-12(18-9)11(16)13(17-8)10(15)7-4-2-1-3-5-7/h1-5,8,10-13,15-16H,6H2/t8-,10+,11-,12+,13-/m0/s1
InChIKey OGSSCWFZICJOMO-YKDBICPDSA-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 KRiKtBnVZt5
Name (2R,3S,3aR,6aR)-3-hydroxy-2-[(S)-hydroxy(phenyl)methyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
Alternate Name(s) (2R,3S,3aR,6aR)-3-oxidanyl-2-[(S)-oxidanyl(phenyl)methyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one (2S,3R,3aS,6aS)-3-oxidanyl-2-[(R)-oxidanyl(phenyl)methyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O5
InChI InChI=1S/C13H14O5/c14-9-6-8-12(18-9)11(16)13(17-8)10(15)7-4-2-1-3-5-7/h1-5,8,10-13,15-16H,6H2/t8-,10+,11-,12+,13-/m0/s1
InChIKey OGSSCWFZICJOMO-YKDBICPDSA-N
Molecular Weight 250.250 g/mol
SMILES O[C@]1([C@@]2(OC(C[C@@]2(O[C@]1([C@@](c1ccccc1)(O)[H])[H])[H])=O)[H])[H]
SPLASH splash10-001i-0090000000-989885841534be396b0e
Source of Spectrum F-48-8666-3
Wiley ID 1253118