| SpectraBase Compound ID | Dhb4nH1RaRk |
|---|---|
| InChI | InChI=1S/C12H16O/c1-2-6-12(13)10-9-11-7-4-3-5-8-11/h2-8,12-13H,9-10H2,1H3/b6-2+ |
| InChIKey | LPEOSCXPDHOVJA-QHHAFSJGSA-N |
| Mol Weight | 176.26 g/mol |
| Molecular Formula | C12H16O |
| Exact Mass | 176.120115 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Lqx3pbKFcOF |
|---|---|
| Name | Benzenepropanol, .alpha.-1-propenyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.120115134 u |
| Formula | C12H16O |
| InChI | InChI=1S/C12H16O/c1-2-6-12(13)10-9-11-7-4-3-5-8-11/h2-8,12-13H,9-10H2,1H3/b6-2+ |
| InChIKey | LPEOSCXPDHOVJA-QHHAFSJGSA-N |
| Molecular Weight | 176.259 g/mol |
| SMILES | C1=CC(CCC(\C=C\C)O)=CC=C1 |