| SpectraBase Compound ID | 9wDLbImCvj |
|---|---|
| InChI | InChI=1S/C6H14O2/c1-5(4-7)6(2,3)8/h5,7-8H,4H2,1-3H3 |
| InChIKey | ITZWYSUTSDPWAQ-UHFFFAOYSA-N |
| Mol Weight | 118.18 g/mol |
| Molecular Formula | C6H14O2 |
| Exact Mass | 118.09938 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Byd4xLA81de |
|---|---|
| Name | 2,3-Dimethylbutane-1,3-diol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 118.099379689 u |
| Formula | C6H14O2 |
| InChI | InChI=1S/C6H14O2/c1-5(4-7)6(2,3)8/h5,7-8H,4H2,1-3H3 |
| InChIKey | ITZWYSUTSDPWAQ-UHFFFAOYSA-N |
| Molecular Weight | 118.176 g/mol |
| SMILES | C(O)C(C(O)(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.953794 |