| SpectraBase Compound ID | Gh7FPJDdVZA |
|---|---|
| InChI | InChI=1S/C13H16O7/c14-6-9(15)11(17)12(18)10(16)7-20-13(19)8-4-2-1-3-5-8/h1-5,9,11-12,14-15,17-18H,6-7H2/t9-,11-,12-/m1/s1 |
| InChIKey | RNSGUFVBYFJFND-YUSALJHKSA-N |
| Mol Weight | 284.26 g/mol |
| Molecular Formula | C13H16O7 |
| Exact Mass | 284.089603 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7s0PA5KYiAr |
|---|---|
| Name | D-Fructose, 1-benzoate |
| CAS Registry Number | 123499-71-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H16O7 |
| InChI | InChI=1S/C13H16O7/c14-6-9(15)11(17)12(18)10(16)7-20-13(19)8-4-2-1-3-5-8/h1-5,9,11-12,14-15,17-18H,6-7H2/t9-,11-,12-/m1/s1 |
| InChIKey | RNSGUFVBYFJFND-YUSALJHKSA-N |
| Molecular Weight | 284.264 g/mol |
| SMILES | O[C@@]([C@]([C@@](C(COC(=O)c1ccccc1)=O)(O)[H])(O)[H])(CO)[H] |
| SPLASH | splash10-00di-0930000000-d5ff62ec25aa66569752 |
| Source of Spectrum | KC-1989-1060-2 |
| Synonyms | 1-O-benzoyl-D-fructose 1-O-benzoylfructose benzoic acid[(3S,4R,5R)-3,4,5,6-tetrahydroxy-2-keto-hexyl]ester benzoic acid[(3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexyl]ester [(3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxo-hexyl]benzoate [(3S,4R,5R)-3,4,5,6-tetrakis(oxidanyl)-2-oxidanylidene-hexyl]benzoate |
| Wiley ID | 1287517 |