| SpectraBase Compound ID | 4IvThDi9Oga |
|---|---|
| InChI | InChI=1S/C4H5NO2/c1-4(6)7-3-2-5/h3H2,1H3 |
| InChIKey | AJEHNBIPLQJTNU-UHFFFAOYSA-N |
| Mol Weight | 99.09 g/mol |
| Molecular Formula | C4H5NO2 |
| Exact Mass | 99.032028 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 8NKox38zw50 |
|---|---|
| Name | Acetic acid, cyanomethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 99.032028403 u |
| Formula | C4H5NO2 |
| InChI | InChI=1S/C4H5NO2/c1-4(6)7-3-2-5/h3H2,1H3 |
| InChIKey | AJEHNBIPLQJTNU-UHFFFAOYSA-N |
| SMILES | CC(OCC#N)=O |
| Spectrum/Structure Validation Score (Raman) | 0.949852 |