| SpectraBase Compound ID | 8k2kxlmn4s0 |
|---|---|
| InChI | InChI=1S/C12H14O/c1-3-10-12(13,4-2)11-8-6-5-7-9-11/h3-9,13H,1-2,10H2 |
| InChIKey | FLPGROILCZWQCB-UHFFFAOYSA-N |
| Mol Weight | 174.24 g/mol |
| Molecular Formula | C12H14O |
| Exact Mass | 174.104465 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | H0P3ztbO5gJ |
|---|---|
| Name | 3-Phenyl-1,5-hexa-dien-3-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.104465070 u |
| Formula | C12H14O |
| InChI | InChI=1S/C12H14O/c1-3-10-12(13,4-2)11-8-6-5-7-9-11/h3-9,13H,1-2,10H2 |
| InChIKey | FLPGROILCZWQCB-UHFFFAOYSA-N |
| Molecular Weight | 174.243 g/mol |
| SMILES | C=CC(CC=C)(O)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.958184 |