| SpectraBase Compound ID | 4dRYuFyI4Wr |
|---|---|
| InChI | InChI=1S/C12H12O2/c1-10(14-11(2)13)8-9-12-6-4-3-5-7-12/h3-7,10H,1-2H3 |
| InChIKey | LVIMBQWXAFRTTL-UHFFFAOYSA-N |
| Mol Weight | 188.23 g/mol |
| Molecular Formula | C12H12O2 |
| Exact Mass | 188.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GDOYrYc4Yv5 |
|---|---|
| Name | 4-Phenylbut-3-yn-2-yl acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.083729624 u |
| Formula | C12H12O2 |
| InChI | InChI=1S/C12H12O2/c1-10(14-11(2)13)8-9-12-6-4-3-5-7-12/h3-7,10H,1-2H3 |
| InChIKey | LVIMBQWXAFRTTL-UHFFFAOYSA-N |
| Molecular Weight | 188.226 g/mol |
| SMILES | C(C)(=O)OC(C)C#CC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.897326 |