| SpectraBase Compound ID | 5xGwRUhcaVd |
|---|---|
| InChI | InChI=1S/C13H28O/c1-10(2,3)13(14,11(4,5)6)12(7,8)9/h14H,1-9H3 |
| InChIKey | LIUBOLYWYDGCSJ-UHFFFAOYSA-N |
| Mol Weight | 200.37 g/mol |
| Molecular Formula | C13H28O |
| Exact Mass | 200.214016 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8X7BA0ouQyC |
|---|---|
| Name | tri-Tert.-butyl-methanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.214015521 u |
| Formula | C13H28O |
| InChI | InChI=1S/C13H28O/c1-10(2,3)13(14,11(4,5)6)12(7,8)9/h14H,1-9H3 |
| InChIKey | LIUBOLYWYDGCSJ-UHFFFAOYSA-N |
| Molecular Weight | 200.366 g/mol |
| SMILES | C(O)(C(C)(C)C)(C(C)(C)C)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.970994 |