| SpectraBase Compound ID | 5vNAvvF2XFO |
|---|---|
| InChI | InChI=1S/C7H14O/c1-6(5-8)7(2,3)4/h8H,1,5H2,2-4H3 |
| InChIKey | RQLYDIRJVONUSE-UHFFFAOYSA-N |
| Mol Weight | 114.19 g/mol |
| Molecular Formula | C7H14O |
| Exact Mass | 114.104465 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HOyaBzBL1Aw |
|---|---|
| Name | 2-Tert-butylprop-2-en-1-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 114.104465070 u |
| Formula | C7H14O |
| InChI | InChI=1S/C7H14O/c1-6(5-8)7(2,3)4/h8H,1,5H2,2-4H3 |
| InChIKey | RQLYDIRJVONUSE-UHFFFAOYSA-N |
| Molecular Weight | 114.188 g/mol |
| SMILES | C(C(C)(C)C)(=C)CO |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.975284 |