| SpectraBase Compound ID | IoDPZPGWRV6 |
|---|---|
| InChI | InChI=1S/C22H32O12/c23-9-13-16(27)19(32-15(26)8-4-7-12-5-2-1-3-6-12)18(29)21(31-13)34-22(11-25)20(30)17(28)14(10-24)33-22/h1-3,5-6,13-14,16-21,23-25,27-30H,4,7-11H2/t13-,14+,16+,17+,18-,19-,20-,21+,22-/m0/s1 |
| InChIKey | VRYISLXSSRGOLY-VLPIVPITSA-N |
| Mol Weight | 488.5 g/mol |
| Molecular Formula | C22H32O12 |
| Exact Mass | 488.189376 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1dS5JxFFjiH |
|---|---|
| Name | 3-O-(4-Phenylbutyryl)sucrose |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H32O12 |
| InChI | InChI=1S/C22H32O12/c23-9-13-16(27)19(32-15(26)8-4-7-12-5-2-1-3-6-12)18(29)21(31-13)34-22(11-25)20(30)17(28)14(10-24)33-22/h1-3,5-6,13-14,16-21,23-25,27-30H,4,7-11H2/t13-,14+,16+,17+,18-,19-,20-,21+,22-/m0/s1 |
| InChIKey | VRYISLXSSRGOLY-VLPIVPITSA-N |
| Molecular Weight | 488.486 g/mol |
| SMILES | O[C@]1([C@@]([C@](O[C@]2(O[C@]([C@]([C@@]([C@@]2(O)[H])(OC(=O)CCCc2ccccc2)[H])(O)[H])(CO)[H])[H])(O[C@@]1(CO)[H])CO)(O)[H])[H] |
| SPLASH | splash10-03di-2149200000-12652ea9c055fba914b8 |
| Source of Spectrum | J-58-2294-4e |
| Synonyms | 2-O-(4-Phenylbutyryl)sucrose |
| Wiley ID | 1402664 |