| SpectraBase Compound ID | Jfn0bLiBB3S |
|---|---|
| InChI | InChI=1S/C14H14O/c1-12-7-9-13(10-8-12)6-4-5-11-14(2,3)15/h7-10,15H,1-3H3 |
| InChIKey | KKQKYWSEPASNLJ-UHFFFAOYSA-N |
| Mol Weight | 198.26 g/mol |
| Molecular Formula | C14H14O |
| Exact Mass | 198.104465 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2BAsp3Gvo9X |
|---|---|
| Name | 2-Methyl-6-p-tolylhexa-3,5-diyn-2-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.104465070 u |
| Formula | C14H14O |
| InChI | InChI=1S/C14H14O/c1-12-7-9-13(10-8-12)6-4-5-11-14(2,3)15/h7-10,15H,1-3H3 |
| InChIKey | KKQKYWSEPASNLJ-UHFFFAOYSA-N |
| Molecular Weight | 198.265 g/mol |
| SMILES | C(C#CC#CC=1C=CC(=CC1)C)(C)(O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.867029 |