| SpectraBase Compound ID | CO5f0yY5E2s |
|---|---|
| InChI | InChI=1S/C10H18O2/c1-9(2,7-11)5-6-10(3,4)8-12/h11-12H,7-8H2,1-4H3 |
| InChIKey | XSWWMSLRVYDAED-UHFFFAOYSA-N |
| Mol Weight | 170.25 g/mol |
| Molecular Formula | C10H18O2 |
| Exact Mass | 170.13068 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4X7DWbw6uvB |
|---|---|
| Name | 2,2,5,5-Tetramethylhex-3-yne-1,6-diol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.130679818 u |
| Formula | C10H18O2 |
| InChI | InChI=1S/C10H18O2/c1-9(2,7-11)5-6-10(3,4)8-12/h11-12H,7-8H2,1-4H3 |
| InChIKey | XSWWMSLRVYDAED-UHFFFAOYSA-N |
| Molecular Weight | 170.252 g/mol |
| SMILES | C(O)C(C#CC(CO)(C)C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.978855 |