| SpectraBase Compound ID | CDWmVs5H8IR |
|---|---|
| InChI | InChI=1S/C7H12O3/c1-6(9-2)4-5-7(8)10-3/h4H,5H2,1-3H3/b6-4+ |
| InChIKey | RBVFEFLOAWIYHJ-GQCTYLIASA-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 | CP9HsgEfLNg |
|---|---|
| Name | 3-Pentenoic acid, 4-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/c1-6(9-2)4-5-7(8)10-3/h4H,5H2,1-3H3/b6-4+ |
| InChIKey | RBVFEFLOAWIYHJ-GQCTYLIASA-N |
| SMILES | C(=O)(C\C=C/(OC)C)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.91641 |