| SpectraBase Compound ID | ENKpD7l8ixJ |
|---|---|
| InChI | InChI=1S/C9H12O3/c1-3-7-11-8-5-6-9(10)12-4-2/h3H,1,4,7-8H2,2H3 |
| InChIKey | KJSTZXHWBDNUIW-UHFFFAOYSA-N |
| Mol Weight | 168.19 g/mol |
| Molecular Formula | C9H12O3 |
| Exact Mass | 168.078644 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FDpWU9x22BT |
|---|---|
| Name | Ethyl 4-(allyloxy)but-2-ynoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.078644243 u |
| Formula | C9H12O3 |
| InChI | InChI=1S/C9H12O3/c1-3-7-11-8-5-6-9(10)12-4-2/h3H,1,4,7-8H2,2H3 |
| InChIKey | KJSTZXHWBDNUIW-UHFFFAOYSA-N |
| Molecular Weight | 168.192 g/mol |
| SMILES | C(C#CCOCC=C)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.889966 |