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[(3R,3aR,6aR)-5-oxidanylidene-6a-(2-oxidanylidenepropyl)-2,3,3a,4-tetrahydrofuro[2,3-b]furan-3-yl]methyl benzoate
SpectraBase Compound ID 5JZrHUxBnC7
InChI InChI=1S/C17H18O6/c1-11(18)8-17-14(7-15(19)23-17)13(10-22-17)9-21-16(20)12-5-3-2-4-6-12/h2-6,13-14H,7-10H2,1H3/t13-,14+,17+/m0/s1
InChIKey KPLJENFVVZWBMN-JJRVBVJISA-N
Mol Weight 318.33 g/mol
Molecular Formula C17H18O6
Exact Mass 318.110338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BVS2vLs2Lyh
Name [(3R,3aR,6aR)-5-oxidanylidene-6a-(2-oxidanylidenepropyl)-2,3,3a,4-tetrahydrofuro[2,3-b]furan-3-yl]methyl benzoate
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Formula C17H18O6
InChI InChI=1S/C17H18O6/c1-11(18)8-17-14(7-15(19)23-17)13(10-22-17)9-21-16(20)12-5-3-2-4-6-12/h2-6,13-14H,7-10H2,1H3/t13-,14+,17+/m0/s1
InChIKey KPLJENFVVZWBMN-JJRVBVJISA-N
Molecular Weight 318.325 g/mol
SMILES [C@@]12(OC(=O)C[C@@]2([C@@](COC(=O)c2ccccc2)(CO1)[H])[H])CC(=O)C
SPLASH splash10-0pbc-2900000000-d125fbfaeb1bbeae8ed8
Source of Spectrum D1-2006-1054-0
Synonyms [(3R,3aR,6aR)-5-oxo-6a-(2-oxopropyl)-2,3,3a,4-tetrahydrofuro[2,3-b]furan-3-yl]methyl benzoate [(3R,3aR,6aR)-6a-acetonyl-5-oxo-2,3,3a,4-tetrahydrofuro[2,3-b]furan-3-yl]methyl benzoate benzoic acid [(3R,3aR,6aR)-5-oxo-6a-(2-oxopropyl)-2,3,3a,4-tetrahydrofuro[2,3-b]furan-3-yl]methyl ester
Wiley ID 1614005