| SpectraBase Compound ID | Bu4Q2FmmSml |
|---|---|
| InChI | InChI=1S/C4H6ClNO/c5-3-4(7)1-2-6/h4,7H,1,3H2 |
| InChIKey | LHBPNZDUNCZWFL-UHFFFAOYSA-N |
| Mol Weight | 119.55 g/mol |
| Molecular Formula | C4H6ClNO |
| Exact Mass | 119.013792 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | DcFSOQbVRxJ |
|---|---|
| Name | 4-Chloro-3-hydroxybutyronitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 119.013791516 u |
| Formula | C4H6ClNO |
| InChI | InChI=1S/C4H6ClNO/c5-3-4(7)1-2-6/h4,7H,1,3H2 |
| InChIKey | LHBPNZDUNCZWFL-UHFFFAOYSA-N |
| Molecular Weight | 119.551 g/mol |
| SMILES | OC(CCl)CC#N |
| Spectrum/Structure Validation Score (Raman) | 0.957899 |