| SpectraBase Compound ID | 39X5oWSNxMj |
|---|---|
| InChI | InChI=1S/C13H14O/c14-12-8-3-1-2-5-9-13-10-6-4-7-11-13/h3-4,6-8,10-11,14H,1-2,12H2/b8-3+ |
| InChIKey | SFGSHZDRNRZWDD-FPYGCLRLSA-N |
| Mol Weight | 186.25 g/mol |
| Molecular Formula | C13H14O |
| Exact Mass | 186.104465 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9kJVjmZ8Q3k |
|---|---|
| Name | (2E)-7-Phenylhept-2-en-6-yn-1-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.104465070 u |
| Formula | C13H14O |
| InChI | InChI=1S/C13H14O/c14-12-8-3-1-2-5-9-13-10-6-4-7-11-13/h3-4,6-8,10-11,14H,1-2,12H2/b8-3+ |
| InChIKey | SFGSHZDRNRZWDD-FPYGCLRLSA-N |
| Molecular Weight | 186.254 g/mol |
| SMILES | C(\C=C\CCC#CC=1C=CC=CC1)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.838584 |