| SpectraBase Compound ID | 8rWrAsfKg11 |
|---|---|
| InChI | InChI=1S/C8H18O3/c1-7(10)4-5-8(11)3-2-6-9/h7-11H,2-6H2,1H3 |
| InChIKey | VPJIDASIZYCWGX-UHFFFAOYSA-N |
| Mol Weight | 162.23 g/mol |
| Molecular Formula | C8H18O3 |
| Exact Mass | 162.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 70X0fU8G5JO |
|---|---|
| Name | 1,4,7-Octanetriol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 162.125594437 u |
| Formula | C8H18O3 |
| InChI | InChI=1S/C8H18O3/c1-7(10)4-5-8(11)3-2-6-9/h7-11H,2-6H2,1H3 |
| InChIKey | VPJIDASIZYCWGX-UHFFFAOYSA-N |
| Molecular Weight | 162.229 g/mol |
| SMILES | OCCCC(CCC(C)O)O |