![1,2,3,4-Dodecanetetrol, [2R-(2R*,3S*,4S*)]-](/api/spectrum/DB57J9NnDEV/structure.png?h=300&w=458 "1,2,3,4-Dodecanetetrol, [2R-(2R*,3S*,4S*)]-")
| SpectraBase Compound ID | 4zbH86cykXP |
|---|---|
| InChI | InChI=1S/C12H26O4/c1-2-3-4-5-6-7-8-10(14)12(16)11(15)9-13/h10-16H,2-9H2,1H3/t10-,11+,12-/m0/s1 |
| InChIKey | ZTQISFNYNUJJMI-TUAOUCFPSA-N |
| Mol Weight | 234.34 g/mol |
| Molecular Formula | C12H26O4 |
| Exact Mass | 234.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DB57J9NnDEV |
|---|---|
| Name | 1,2,3,4-Dodecanetetrol, [2R-(2R*,3S*,4S*)]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.183109313 u |
| Formula | C12H26O4 |
| InChI | InChI=1S/C12H26O4/c1-2-3-4-5-6-7-8-10(14)12(16)11(15)9-13/h10-16H,2-9H2,1H3/t10-,11+,12-/m0/s1 |
| InChIKey | ZTQISFNYNUJJMI-TUAOUCFPSA-N |
| Molecular Weight | 234.336 g/mol |
| SMILES | C(O)[C@@](O)([C@]([C@](CCCCCCCC)(O)[H])(O)[H])[H] |