| SpectraBase Compound ID | KehURzk8w1R |
|---|---|
| InChI | InChI=1S/C13H14O/c1-13(2,14)11-7-6-10-12-8-4-3-5-9-12/h3-6,8-10,14H,1-2H3/b10-6+ |
| InChIKey | UBWMSPNNSZMLQI-UXBLZVDNSA-N |
| Mol Weight | 186.25 g/mol |
| Molecular Formula | C13H14O |
| Exact Mass | 186.104465 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | IVCwSvZCv00 |
|---|---|
| Name | 5-Methyl-1-phenylhexen-3-yn-5-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/c1-13(2,14)11-7-6-10-12-8-4-3-5-9-12/h3-6,8-10,14H,1-2H3/b10-6+ |
| InChIKey | UBWMSPNNSZMLQI-UXBLZVDNSA-N |
| Molecular Weight | 186.254 g/mol |
| SMILES | C1=CC(\C=C\C#CC(O)(C)C)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.953754 |