| SpectraBase Compound ID | LAnAMZgBaHi |
|---|---|
| InChI | InChI=1S/C7H12O3/c1-4-5-6(9-2)7(8)10-3/h4,6H,1,5H2,2-3H3 |
| InChIKey | BSNDYHUTCUNRFY-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 | FAxUpCnpAQv |
|---|---|
| Name | 4-Pentenoic acid, 2-methoxy-, 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/c1-4-5-6(9-2)7(8)10-3/h4,6H,1,5H2,2-3H3 |
| InChIKey | BSNDYHUTCUNRFY-UHFFFAOYSA-N |
| SMILES | C(C(CC=C)OC)(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.963037 |