| SpectraBase Compound ID | 3esDa88m9IJ |
|---|---|
| InChI | InChI=1S/C13H16O/c1-3-10-13(14,11-4-2)12-8-6-5-7-9-12/h3-9,14H,1-2,10-11H2 |
| InChIKey | MAJJMRZZSDGJTM-UHFFFAOYSA-N |
| Mol Weight | 188.27 g/mol |
| Molecular Formula | C13H16O |
| Exact Mass | 188.120115 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 78DRk0sIKhA |
|---|---|
| Name | 4-Phenylhepta-1,6-dien-4-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.120115134 u |
| Formula | C13H16O |
| InChI | InChI=1S/C13H16O/c1-3-10-13(14,11-4-2)12-8-6-5-7-9-12/h3-9,14H,1-2,10-11H2 |
| InChIKey | MAJJMRZZSDGJTM-UHFFFAOYSA-N |
| Molecular Weight | 188.270 g/mol |
| SMILES | C=CCC(CC=C)(C1=CC=CC=C1)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.969404 |