| SpectraBase Compound ID | DZ9jZ7KXACy |
|---|---|
| InChI | InChI=1S/C3H5NO/c1-3(5)2-4/h3,5H,1H3 |
| InChIKey | WOFDVDFSGLBFAC-UHFFFAOYSA-N |
| Mol Weight | 71.08 g/mol |
| Molecular Formula | C3H5NO |
| Exact Mass | 71.037114 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 2yO1GmOL8mg |
|---|---|
| Name | Lactonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 71.037113784 u |
| Formula | C3H5NO |
| InChI | InChI=1S/C3H5NO/c1-3(5)2-4/h3,5H,1H3 |
| InChIKey | WOFDVDFSGLBFAC-UHFFFAOYSA-N |
| Molecular Weight | 71.079 g/mol |
| SMILES | OC(C)C#N |
| Spectrum/Structure Validation Score (Raman) | 0.955439 |