| SpectraBase Compound ID | 2fH8gHLQMCs |
|---|---|
| InChI | InChI=1S/C13H14O3/c1-2-10-15-13(14)16-11-6-9-12-7-4-3-5-8-12/h2-9H,1,10-11H2/b9-6+ |
| InChIKey | WNQKFKMRKTYAIZ-RMKNXTFCSA-N |
| Mol Weight | 218.25 g/mol |
| Molecular Formula | C13H14O3 |
| Exact Mass | 218.094294 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8ZwspzwCDPv |
|---|---|
| Name | Allyl cinnamyl carbonate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.094294308 u |
| Formula | C13H14O3 |
| InChI | InChI=1S/C13H14O3/c1-2-10-15-13(14)16-11-6-9-12-7-4-3-5-8-12/h2-9H,1,10-11H2/b9-6+ |
| InChIKey | WNQKFKMRKTYAIZ-RMKNXTFCSA-N |
| Molecular Weight | 218.252 g/mol |
| SMILES | C(\C=C\C1=CC=CC=C1)OC(=O)OCC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.963258 |