| SpectraBase Compound ID | 3VVcoECUrBJ |
|---|---|
| InChI | InChI=1S/C4H8O2/c1-6-4-2-3-5/h3H,2,4H2,1H3 |
| InChIKey | OXGJKCALURPRCN-UHFFFAOYSA-N |
| Mol Weight | 88.11 g/mol |
| Molecular Formula | C4H8O2 |
| Exact Mass | 88.052429 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 7hYJFuwnlRK |
|---|---|
| Name | 3-Methoxypropanal; propanal, 3-methoxy- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 88.052429496 u |
| Formula | C4H8O2 |
| InChI | InChI=1S/C4H8O2/c1-6-4-2-3-5/h3H,2,4H2,1H3 |
| InChIKey | OXGJKCALURPRCN-UHFFFAOYSA-N |
| SMILES | C(CCOC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.962846 |