| SpectraBase Compound ID | 7fBLusA3nwD |
|---|---|
| InChI | InChI=1S/C13H15N/c1-11-4-6-12(7-5-11)13(10-14)8-2-3-9-13/h4-7H,2-3,8-9H2,1H3 |
| InChIKey | GTHMJIFNCGSBJT-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 | BAVXOl3gyfS |
|---|---|
| Name | 1-p-Tolylcyclopentanecarbonitrile |
| 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/c1-11-4-6-12(7-5-11)13(10-14)8-2-3-9-13/h4-7H,2-3,8-9H2,1H3 |
| InChIKey | GTHMJIFNCGSBJT-UHFFFAOYSA-N |
| Molecular Weight | 185.270 g/mol |
| SMILES | C1CC(CC1)(C=1C=CC(=CC1)C)C#N |
| Spectrum/Structure Validation Score (Raman) | 0.942405 |