| SpectraBase Compound ID | 223SQRwSPse |
|---|---|
| InChI | InChI=1S/C12H22O7/c1-2-3-4-5-10(16)19-7-9(15)12(18)11(17)8(14)6-13/h8,11-14,17-18H,2-7H2,1H3/t8-,11-,12-/m1/s1 |
| InChIKey | IZORRKAEVVHESV-GGZOMVNGSA-N |
| Mol Weight | 278.3 g/mol |
| Molecular Formula | C12H22O7 |
| Exact Mass | 278.136553 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CHC1djQB7Ke |
|---|---|
| Name | D-Fructose, 1-hexanoate |
| CAS Registry Number | 123499-70-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H22O7 |
| InChI | InChI=1S/C12H22O7/c1-2-3-4-5-10(16)19-7-9(15)12(18)11(17)8(14)6-13/h8,11-14,17-18H,2-7H2,1H3/t8-,11-,12-/m1/s1 |
| InChIKey | IZORRKAEVVHESV-GGZOMVNGSA-N |
| Molecular Weight | 278.301 g/mol |
| SMILES | O[C@@]([C@]([C@@](C(COC(=O)CCCCC)=O)(O)[H])(O)[H])(CO)[H] |
| SPLASH | splash10-014i-0910000000-3be7b7d89b716b9ed478 |
| Source of Spectrum | KC-1989-1060-2 |
| Synonyms | 1-O-hexanoyl-D-fructose 1-O-hexanoylfructose Hexanoic acid [(3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexyl] ester [(3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexyl] hexanoate [(3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxo-hexyl] hexanoate [(3S,4R,5R)-3,4,5,6-tetrakis(oxidanyl)-2-oxidanylidene-hexyl] hexanoate |
| Wiley ID | 1281579 |