| SpectraBase Compound ID | ByXoCvakALu |
|---|---|
| InChI | InChI=1S/C7H10O4/c1-5(11-6(2)8)4-7(9)10-3/h1,4H2,2-3H3 |
| InChIKey | RSUXDGSAMUJZNI-UHFFFAOYSA-N |
| Mol Weight | 158.15 g/mol |
| Molecular Formula | C7H10O4 |
| Exact Mass | 158.057909 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DxLKy9yIigt |
|---|---|
| Name | 3-Acetoxybut-3-enoic acid methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.057908798 u |
| Formula | C7H10O4 |
| InChI | InChI=1S/C7H10O4/c1-5(11-6(2)8)4-7(9)10-3/h1,4H2,2-3H3 |
| InChIKey | RSUXDGSAMUJZNI-UHFFFAOYSA-N |
| SMILES | C(C(OC(=O)C)=C)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.966196 |