| SpectraBase Compound ID | IwtvL0g5MTg |
|---|---|
| InChI | InChI=1S/C9H16O3/c1-4-5-6-12-8(2)7-9(10)11-3/h7H,4-6H2,1-3H3/b8-7+ |
| InChIKey | MUFMDYLRHABKDT-BQYQJAHWSA-N |
| Mol Weight | 172.22 g/mol |
| Molecular Formula | C9H16O3 |
| Exact Mass | 172.109944 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 5DrUCpZ2bXd |
|---|---|
| Name | 2-Butenoic acid, 3-butoxy-, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.109944372 u |
| Formula | C9H16O3 |
| InChI | InChI=1S/C9H16O3/c1-4-5-6-12-8(2)7-9(10)11-3/h7H,4-6H2,1-3H3/b8-7+ |
| InChIKey | MUFMDYLRHABKDT-BQYQJAHWSA-N |
| Molecular Weight | 172.224 g/mol |
| SMILES | CCCCO\C(=C\C(OC)=O)C |
| Spectrum/Structure Validation Score (Raman) | 0.973005 |