| SpectraBase Compound ID | 8Wh6z2mMhAY |
|---|---|
| InChI | InChI=1S/C12H12O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h3-7H,2,10H2,1H3 |
| InChIKey | WHLWKCVKBYBBSC-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 | 16rCttNmYQU |
|---|---|
| Name | Propyl 3-phenylpropiolate |
| 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/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h3-7H,2,10H2,1H3 |
| InChIKey | WHLWKCVKBYBBSC-UHFFFAOYSA-N |
| Molecular Weight | 188.226 g/mol |
| SMILES | C(C#CC=1C=CC=CC1)(=O)OCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.851255 |