| SpectraBase Compound ID | 1TITI5rhjYi |
|---|---|
| InChI | InChI=1S/C10H22O2/c1-3-5-7-9(11)10(12)8-6-4-2/h9-12H,3-8H2,1-2H3/t9-,10-/m1/s1 |
| InChIKey | FUGIIBWTNARRSF-NXEZZACHSA-N |
| Mol Weight | 174.28 g/mol |
| Molecular Formula | C10H22O2 |
| Exact Mass | 174.16198 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Iv6yMXV35wH |
|---|---|
| Name | (5R*,6R*)-Decane-5,6-diol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.161979946 u |
| Formula | C10H22O2 |
| InChI | InChI=1S/C10H22O2/c1-3-5-7-9(11)10(12)8-6-4-2/h9-12H,3-8H2,1-2H3/t9-,10-/m1/s1 |
| InChIKey | FUGIIBWTNARRSF-NXEZZACHSA-N |
| Molecular Weight | 174.284 g/mol |
| SMILES | [C@]([C@](O)(CCCC)[H])(O)(CCCC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.929843 |