| SpectraBase Compound ID | 3tPL34RE0Ko |
|---|---|
| InChI | InChI=1S/C7H14O/c1-4-5-6(2)7(3)8/h5,7-8H,4H2,1-3H3/b6-5+ |
| InChIKey | ALSBKNSBCLYOOI-AATRIKPKSA-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 | KklzxusHFA9 |
|---|---|
| Name | 3-Methyl-3-hexen-2-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/c1-4-5-6(2)7(3)8/h5,7-8H,4H2,1-3H3/b6-5+ |
| InChIKey | ALSBKNSBCLYOOI-AATRIKPKSA-N |
| Molecular Weight | 114.188 g/mol |
| SMILES | C(C)\C=C/(C)C(C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.911258 |