| SpectraBase Compound ID | HAIfUczXU9Z |
|---|---|
| InChI | InChI=1S/C5H9NO2/c1-7-5(8-2)3-4-6/h5H,3H2,1-2H3 |
| InChIKey | JYHSJQNYYLGMEI-UHFFFAOYSA-N |
| Mol Weight | 115.13 g/mol |
| Molecular Formula | C5H9NO2 |
| Exact Mass | 115.063329 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | AzAPfEEJnTw |
|---|---|
| Name | Malonaldehydonitrile, dimethyl acetal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 115.063328532 u |
| Formula | C5H9NO2 |
| InChI | InChI=1S/C5H9NO2/c1-7-5(8-2)3-4-6/h5H,3H2,1-2H3 |
| InChIKey | JYHSJQNYYLGMEI-UHFFFAOYSA-N |
| Molecular Weight | 115.132 g/mol |
| SMILES | COC(CC#N)OC |
| Spectrum/Structure Validation Score (Raman) | 0.928495 |