| SpectraBase Compound ID | GjhaDdFq3Zr |
|---|---|
| InChI | InChI=1S/C9H12N2O/c10-6-8(9(11)12)7-4-2-1-3-5-7/h1-5H2,(H2,11,12) |
| InChIKey | HPLVMKGWFQBJOV-UHFFFAOYSA-N |
| Mol Weight | 164.21 g/mol |
| Molecular Formula | C9H12N2O |
| Exact Mass | 164.094963 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 7EdiJJpMUUP |
|---|---|
| Name | alpha-Cyano-DELTA1,alpha-cyclohexaneacetamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.094963013 u |
| Formula | C9H12N2O |
| InChI | InChI=1S/C9H12N2O/c10-6-8(9(11)12)7-4-2-1-3-5-7/h1-5H2,(H2,11,12) |
| InChIKey | HPLVMKGWFQBJOV-UHFFFAOYSA-N |
| SMILES | NC(C(=C1CCCCC1)C#N)=O |
| Spectrum/Structure Validation Score (Raman) | 0.953871 |