| SpectraBase Compound ID | RqRPXA3fT7 |
|---|---|
| InChI | InChI=1S/C10H14Br2O6/c1-3(13)17-9-5(11)6(12)10(18-4(2)14)8(16)7(9)15/h5-10,15-16H,1-2H3/t5-,6-,7-,8+,9+,10+/m0/s1 |
| InChIKey | KCHVKCYBRYCBOL-IWSVPVBZSA-N |
| Mol Weight | 390.02 g/mol |
| Molecular Formula | C10H14Br2O6 |
| Exact Mass | 387.915714 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GUzJErs9r2C |
|---|---|
| Name | 4,5-Dideoxy-4,5-dibromo-3,6-di( O-acetyl)-D-myo-inositol |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C10H14Br2O6 |
| InChI | InChI=1S/C10H14Br2O6/c1-3(13)17-9-5(11)6(12)10(18-4(2)14)8(16)7(9)15/h5-10,15-16H,1-2H3/t5-,6-,7-,8+,9+,10+/m0/s1 |
| InChIKey | KCHVKCYBRYCBOL-IWSVPVBZSA-N |
| Molecular Weight | 390.024 g/mol |
| SMILES | O[C@@]1([C@@]([C@]([C@@]([C@]([C@@]1(O)[H])(OC(=O)C)[H])(Br)[H])(Br)[H])(OC(=O)C)[H])[H] |
| SPLASH | splash10-0006-9510000000-f523bc70fec6525597f5 |
| Source of Spectrum | K1-2003-1968-41 |
| Synonyms | Acetic acid [(1S,2R,3R,4S,5S,6R)-4-acetyloxy-2,3-dibromo-5,6-dihydroxycyclohexyl] ester [(1S,2R,3R,4S,5S,6R)-4-acetyloxy-2,3-dibromo-5,6-dihydroxycyclohexyl] acetate [(1S,2R,3R,4S,5S,6R)-4-acetoxy-2,3-dibromo-5,6-dihydroxy-cyclohexyl] acetate [(1S,2R,3R,4S,5S,6R)-4-acetyloxy-2,3-bis(bromanyl)-5,6-bis(oxidanyl)cyclohexyl] ethanoate |
| Wiley ID | 1521027 |