| SpectraBase Compound ID | HxaakoZr0zo |
|---|---|
| InChI | InChI=1S/C14H18O/c1-2-3-11-14(15)12-7-10-13-8-5-4-6-9-13/h4-6,8-9,14-15H,2-3,10-11H2,1H3 |
| InChIKey | XKXMCRAFUPMULN-UHFFFAOYSA-N |
| Mol Weight | 202.3 g/mol |
| Molecular Formula | C14H18O |
| Exact Mass | 202.135765 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9rqF12bejK |
|---|---|
| Name | 1-Phenyl-2-octyn-4-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.135765199 u |
| Formula | C14H18O |
| InChI | InChI=1S/C14H18O/c1-2-3-11-14(15)12-7-10-13-8-5-4-6-9-13/h4-6,8-9,14-15H,2-3,10-11H2,1H3 |
| InChIKey | XKXMCRAFUPMULN-UHFFFAOYSA-N |
| Molecular Weight | 202.297 g/mol |
| SMILES | C(#CC(O)CCCC)CC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.934444 |