| SpectraBase Compound ID | WSi0YceFwP |
|---|---|
| InChI | InChI=1S/C4H7NO/c1-4(6)2-3-5/h4,6H,2H2,1H3 |
| InChIKey | BYJAJQGCMSBKPB-UHFFFAOYSA-N |
| Mol Weight | 85.11 g/mol |
| Molecular Formula | C4H7NO |
| Exact Mass | 85.052764 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | EO3qGUnuEUe |
|---|---|
| Name | 3-Hydroxybutanonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 85.052763848 u |
| Formula | C4H7NO |
| InChI | InChI=1S/C4H7NO/c1-4(6)2-3-5/h4,6H,2H2,1H3 |
| InChIKey | BYJAJQGCMSBKPB-UHFFFAOYSA-N |
| Molecular Weight | 85.106 g/mol |
| SMILES | C(#N)CC(O)C |
| Spectrum/Structure Validation Score (Raman) | 0.977267 |