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3-O-Benzoyl-1,2-O-(1-methylethylidene)hexofuranose

View entire compound with spectra: 1 MS (GC)

3-O-Benzoyl-1,2-O-(1-methylethylidene)hexofuranose
SpectraBase Compound ID 4S4bhbdf9nP
InChI InChI=1S/C16H20O7/c1-16(2)22-13-12(11(10(18)8-17)21-15(13)23-16)20-14(19)9-6-4-3-5-7-9/h3-7,10-13,15,17-18H,8H2,1-2H3/t10-,11-,12-,13-,15-/m1/s1
InChIKey FVMGHHSPTSHJCW-FTQJZPFOSA-N
Mol Weight 324.33 g/mol
Molecular Formula C16H20O7
Exact Mass 324.120903 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4lcLhPp00AP
Name 3-O-Benzoyl-1,2-O-(1-methylethylidene)hexofuranose
Alternate Name(s) [5-(1,2-dihydroxyethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] benzoate [5-[1,2-bis(oxidanyl)ethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] benzoate
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Formula C16H20O7
InChI InChI=1S/C16H20O7/c1-16(2)22-13-12(11(10(18)8-17)21-15(13)23-16)20-14(19)9-6-4-3-5-7-9/h3-7,10-13,15,17-18H,8H2,1-2H3/t10-,11-,12-,13-,15-/m1/s1
InChIKey FVMGHHSPTSHJCW-FTQJZPFOSA-N
Molecular Weight 324.329 g/mol
SMILES O[C@](CO)([C@@]1([C@]([C@@]2([C@](O1)(OC(O2)(C)C)[H])[H])(OC(=O)c1ccccc1)[H])[H])[H]
SPLASH splash10-0a4i-6910000000-c3e3f0015e96642dbe02
Source of Spectrum AD-0-2532-0
Wiley ID 1429355