| SpectraBase Compound ID | 37Vtx5YGhiu |
|---|---|
| InChI | InChI=1S/C11H14O/c1-9-4-3-5-11(8-9)10(2)6-7-12/h3-5,8,12H,2,6-7H2,1H3 |
| InChIKey | CSSJBAKMEHAGGB-UHFFFAOYSA-N |
| Mol Weight | 162.23 g/mol |
| Molecular Formula | C11H14O |
| Exact Mass | 162.104465 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3zz0AQc6PFr |
|---|---|
| Name | Benzenepropanol, 3-methyl-.gamma.-methylene- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 162.104465070 u |
| Formula | C11H14O |
| InChI | InChI=1S/C11H14O/c1-9-4-3-5-11(8-9)10(2)6-7-12/h3-5,8,12H,2,6-7H2,1H3 |
| InChIKey | CSSJBAKMEHAGGB-UHFFFAOYSA-N |
| Molecular Weight | 162.232 g/mol |
| SMILES | C(C=1C=C(C)C=CC1)(=C)CCO |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.905995 |