| SpectraBase Compound ID | 3ltCDFrDRyy |
|---|---|
| InChI | InChI=1S/C12H12O2/c1-3-7-12(14-10(2)13)11-8-5-4-6-9-11/h4-6,8-9,12H,1-2H3 |
| InChIKey | IPQYYVIBXBUMPR-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 | 6g8qZ0HNo0T |
|---|---|
| Name | 1-Acetoxy-1-phenylbut-2-yne |
| 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/c1-3-7-12(14-10(2)13)11-8-5-4-6-9-11/h4-6,8-9,12H,1-2H3 |
| InChIKey | IPQYYVIBXBUMPR-UHFFFAOYSA-N |
| Molecular Weight | 188.226 g/mol |
| SMILES | C1=CC(=CC=C1)C(C#CC)OC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.926926 |