| SpectraBase Compound ID | 7sxZw7u7528 |
|---|---|
| InChI | InChI=1S/C12H16O/c1-3-11(8-9-13)12-6-4-10(2)5-7-12/h4-8,13H,3,9H2,1-2H3/b11-8- |
| InChIKey | OIWYTTOABZTEAR-FLIBITNWSA-N |
| Mol Weight | 176.26 g/mol |
| Molecular Formula | C12H16O |
| Exact Mass | 176.120115 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AKtN42LQ0Jj |
|---|---|
| Name | 3-(4-Methylphenyl)pent-2-en-1-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.120115134 u |
| Formula | C12H16O |
| InChI | InChI=1S/C12H16O/c1-3-11(8-9-13)12-6-4-10(2)5-7-12/h4-8,13H,3,9H2,1-2H3/b11-8- |
| InChIKey | OIWYTTOABZTEAR-FLIBITNWSA-N |
| Molecular Weight | 176.259 g/mol |
| SMILES | C=1(\C(=C/CO)CC)C=CC(=CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.819402 |