| SpectraBase Compound ID | 6CqdzTnKxXC |
|---|---|
| InChI | InChI=1S/C13H14O2/c14-13(8-10-15-11-9-13)7-6-12-4-2-1-3-5-12/h1-5,14H,8-11H2 |
| InChIKey | FKKCFCGMVLIYCS-UHFFFAOYSA-N |
| Mol Weight | 202.25 g/mol |
| Molecular Formula | C13H14O2 |
| Exact Mass | 202.09938 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CORiyM1UBcX |
|---|---|
| Name | 4-(2-Phenylethynyl)oxan-4-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.099379689 u |
| Formula | C13H14O2 |
| InChI | InChI=1S/C13H14O2/c14-13(8-10-15-11-9-13)7-6-12-4-2-1-3-5-12/h1-5,14H,8-11H2 |
| InChIKey | FKKCFCGMVLIYCS-UHFFFAOYSA-N |
| Molecular Weight | 202.253 g/mol |
| SMILES | C1(CCOCC1)(C#CC1=CC=CC=C1)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.926861 |