| SpectraBase Compound ID | FgxKTOIySxX |
|---|---|
| InChI | InChI=1S/C16H12/c1-2-15-10-6-7-11-16(15)13-12-14-8-4-3-5-9-14/h2-11H,1H2 |
| InChIKey | JCLHLHZZXZFXOD-UHFFFAOYSA-N |
| Mol Weight | 204.27 g/mol |
| Molecular Formula | C16H12 |
| Exact Mass | 204.0939 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 47ooHrIeILR |
|---|---|
| Name | 2-(2'-Phenylethynyl)styrene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.093900386 u |
| Formula | C16H12 |
| InChI | InChI=1S/C16H12/c1-2-15-10-6-7-11-16(15)13-12-14-8-4-3-5-9-14/h2-11H,1H2 |
| InChIKey | JCLHLHZZXZFXOD-UHFFFAOYSA-N |
| Molecular Weight | 204.272 g/mol |
| SMILES | C=CC=1C(=CC=CC1)C#CC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.87927 |