| SpectraBase Compound ID | 72tgC7gFcc2 |
|---|---|
| InChI | InChI=1S/C7H14O/c1-5-6(8)7(2,3)4/h5-6,8H,1H2,2-4H3 |
| InChIKey | CXZYULDCQRMQIQ-UHFFFAOYSA-N |
| Mol Weight | 114.19 g/mol |
| Molecular Formula | C7H14O |
| Exact Mass | 114.104465 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | IoozydLMXsp |
|---|---|
| Name | 1-Penten-3-ol, 4,4-dimethyl-; 4,4-dimethylenepenten-3-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/c1-5-6(8)7(2,3)4/h5-6,8H,1H2,2-4H3 |
| InChIKey | CXZYULDCQRMQIQ-UHFFFAOYSA-N |
| Molecular Weight | 114.188 g/mol |
| SMILES | OC(C(C)(C)C)C=C |
| Spectrum/Structure Validation Score (Raman) | 0.915719 |