| SpectraBase Compound ID | 8Lsta8DUtI9 |
|---|---|
| InChI | InChI=1S/C14H18O/c1-2-3-4-5-9-12-14(15)13-10-7-6-8-11-13/h6-8,10-11,14-15H,2-5H2,1H3 |
| InChIKey | GCCHIQSENJTUHA-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 | CQ7Y4jV2vJ0 |
|---|---|
| Name | 1-Phenyl-2-octyn-1-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/c1-2-3-4-5-9-12-14(15)13-10-7-6-8-11-13/h6-8,10-11,14-15H,2-5H2,1H3 |
| InChIKey | GCCHIQSENJTUHA-UHFFFAOYSA-N |
| Molecular Weight | 202.297 g/mol |
| SMILES | C(#CCCCCC)C(C1=CC=CC=C1)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.874458 |