| SpectraBase Compound ID | Bp1z94UtObY |
|---|---|
| InChI | InChI=1S/C8H18O2/c1-6(2)7(9)5-8(3,4)10/h6-7,9-10H,5H2,1-4H3 |
| InChIKey | JANSZBDMCKVQEK-UHFFFAOYSA-N |
| Mol Weight | 146.23 g/mol |
| Molecular Formula | C8H18O2 |
| Exact Mass | 146.13068 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | D3CjXkoeftC |
|---|---|
| Name | 2,5-Dimethylhexane-2,4-diol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 146.130679818 u |
| Formula | C8H18O2 |
| InChI | InChI=1S/C8H18O2/c1-6(2)7(9)5-8(3,4)10/h6-7,9-10H,5H2,1-4H3 |
| InChIKey | JANSZBDMCKVQEK-UHFFFAOYSA-N |
| Molecular Weight | 146.230 g/mol |
| SMILES | CC(C)C(CC(C)(O)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.943113 |