| SpectraBase Compound ID | GZpdQDyIa6D |
|---|---|
| InChI | InChI=1S/C8H13NO/c1-2-3-5-8(10)6-4-7-9/h2-6H2,1H3 |
| InChIKey | HXQVNCHDDAUUOK-UHFFFAOYSA-N |
| Mol Weight | 139.2 g/mol |
| Molecular Formula | C8H13NO |
| Exact Mass | 139.099714 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | LQD6hDmiuuo |
|---|---|
| Name | 4-Oxooctanenitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 139.099714042 u |
| Formula | C8H13NO |
| InChI | InChI=1S/C8H13NO/c1-2-3-5-8(10)6-4-7-9/h2-6H2,1H3 |
| InChIKey | HXQVNCHDDAUUOK-UHFFFAOYSA-N |
| Molecular Weight | 139.198 g/mol |
| SMILES | C(CC)CC(CCC#N)=O |
| Spectrum/Structure Validation Score (Raman) | 0.969966 |