| SpectraBase Compound ID | CNGSaOg57J8 |
|---|---|
| InChI | InChI=1S/C5H8ClN/c6-4-2-1-3-5-7/h1-4H2 |
| InChIKey | JSAWFGSXRPCFSW-UHFFFAOYSA-N |
| Mol Weight | 117.58 g/mol |
| Molecular Formula | C5H8ClN |
| Exact Mass | 117.034527 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Fxkp1u9p8Ay |
|---|---|
| Name | 5-Chlorovaleronitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 117.034526962 u |
| Formula | C5H8ClN |
| InChI | InChI=1S/C5H8ClN/c6-4-2-1-3-5-7/h1-4H2 |
| InChIKey | JSAWFGSXRPCFSW-UHFFFAOYSA-N |
| Molecular Weight | 117.579 g/mol |
| SMILES | C(Cl)CCCC#N |
| Spectrum/Structure Validation Score (Raman) | 0.934334 |