| SpectraBase Compound ID | 7lIxmJjDGtU |
|---|---|
| InChI | InChI=1S/C12H13N/c13-10-12(8-4-5-9-12)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-9H2 |
| InChIKey | GDXMFFGTPGAGGX-UHFFFAOYSA-N |
| Mol Weight | 171.24 g/mol |
| Molecular Formula | C12H13N |
| Exact Mass | 171.104799 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | R9vyvhFeZg |
|---|---|
| Name | 1-Phenylcyclopentanecarbonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 171.104799423 u |
| Formula | C12H13N |
| InChI | InChI=1S/C12H13N/c13-10-12(8-4-5-9-12)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-9H2 |
| InChIKey | GDXMFFGTPGAGGX-UHFFFAOYSA-N |
| Molecular Weight | 171.243 g/mol |
| SMILES | C=1C(=CC=CC1)C1(CCCC1)C#N |
| Spectrum/Structure Validation Score (Raman) | 0.715567 |