| SpectraBase Compound ID | AXjvd9OQOAg |
|---|---|
| InChI | InChI=1S/C9H12O5/c1-3-12-8(10)6-5-7-14-9(11)13-4-2/h3-4,7H2,1-2H3 |
| InChIKey | VXLPAAYSAZPADR-UHFFFAOYSA-N |
| Mol Weight | 200.19 g/mol |
| Molecular Formula | C9H12O5 |
| Exact Mass | 200.068473 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2GIwVnjjXYQ |
|---|---|
| Name | Ethyl 4-ethoxycarbonyloxybut-2-ynoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.068473481 u |
| Formula | C9H12O5 |
| InChI | InChI=1S/C9H12O5/c1-3-12-8(10)6-5-7-14-9(11)13-4-2/h3-4,7H2,1-2H3 |
| InChIKey | VXLPAAYSAZPADR-UHFFFAOYSA-N |
| Molecular Weight | 200.190 g/mol |
| SMILES | C(C#CCOC(=O)OCC)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.90389 |