| SpectraBase Compound ID | ECz6qCLdOxk |
|---|---|
| InChI | InChI=1S/C12H14/c1-12(2,3)10-9-11-7-5-4-6-8-11/h4-8H,1-3H3 |
| InChIKey | FASNPPWZLHQZAJ-UHFFFAOYSA-N |
| Mol Weight | 158.24 g/mol |
| Molecular Formula | C12H14 |
| Exact Mass | 158.10955 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7iBVBJ2qtA0 |
|---|---|
| Name | (Tert.-butylethynyl)-benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.109550451 u |
| Formula | C12H14 |
| InChI | InChI=1S/C12H14/c1-12(2,3)10-9-11-7-5-4-6-8-11/h4-8H,1-3H3 |
| InChIKey | FASNPPWZLHQZAJ-UHFFFAOYSA-N |
| Molecular Weight | 158.244 g/mol |
| SMILES | C=1C=CC(C#CC(C)(C)C)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.850857 |