| SpectraBase Compound ID | 5o8uqeNNNWB |
|---|---|
| InChI | InChI=1S/C13H15N/c14-11-13(9-5-2-6-10-13)12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-10H2 |
| InChIKey | AUXIEQKHXAYAHG-UHFFFAOYSA-N |
| Mol Weight | 185.27 g/mol |
| Molecular Formula | C13H15N |
| Exact Mass | 185.120449 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Ee4hMCVrjFx |
|---|---|
| Name | Cyclohexanecarbonitrile, 1-phenyl-, |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 185.120449487 u |
| Formula | C13H15N |
| InChI | InChI=1S/C13H15N/c14-11-13(9-5-2-6-10-13)12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-10H2 |
| InChIKey | AUXIEQKHXAYAHG-UHFFFAOYSA-N |
| Molecular Weight | 185.270 g/mol |
| SMILES | C1CCCCC1(C#N)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Raman) | 0.909377 |