| SpectraBase Compound ID | De7UQzbvC6P |
|---|---|
| InChI | InChI=1S/C5H8O/c1-3-4-5-6-2/h3-5H,1H2,2H3/b5-4+ |
| InChIKey | KOCUMXQOUWPSLK-SNAWJCMRSA-N |
| Mol Weight | 84.12 g/mol |
| Molecular Formula | C5H8O |
| Exact Mass | 84.057515 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 3K0sitMMqlQ |
|---|---|
| Name | 1-Methoxy-1,3-butadiene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 84.057514877 u |
| Formula | C5H8O |
| InChI | InChI=1S/C5H8O/c1-3-4-5-6-2/h3-5H,1H2,2H3/b5-4+ |
| InChIKey | KOCUMXQOUWPSLK-SNAWJCMRSA-N |
| Molecular Weight | 84.118 g/mol |
| SMILES | CO\C=C\C=C |
| Spectrum/Structure Validation Score (Raman) | 0.916846 |