| SpectraBase Compound ID | 5fRe1IQZo08 |
|---|---|
| InChI | InChI=1S/C7H12O3/c1-5(6(2)9-3)7(8)10-4/h5H,2H2,1,3-4H3 |
| InChIKey | AEZYZCUQZNHDLR-UHFFFAOYSA-N |
| Mol Weight | 144.17 g/mol |
| Molecular Formula | C7H12O3 |
| Exact Mass | 144.078644 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5ooQktySGGj |
|---|---|
| Name | 3-Methoxy-2-methyl-3-butenoic acid, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 144.078644243 u |
| Formula | C7H12O3 |
| InChI | InChI=1S/C7H12O3/c1-5(6(2)9-3)7(8)10-4/h5H,2H2,1,3-4H3 |
| InChIKey | AEZYZCUQZNHDLR-UHFFFAOYSA-N |
| SMILES | C(OC)(=O)C(C(=C)OC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.976467 |