| SpectraBase Compound ID | GJW5dnLdb4X |
|---|---|
| InChI | InChI=1S/C10H9N/c1-9-4-6-10(7-5-9)3-2-8-11/h2-7H,1H3 |
| InChIKey | WHECQDVQLPVCRX-UHFFFAOYSA-N |
| Mol Weight | 143.19 g/mol |
| Molecular Formula | C10H9N |
| Exact Mass | 143.073499 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | el74N25cMw |
|---|---|
| Name | Cinnamonitrile, 4-methyl-, |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 143.073499294 u |
| Formula | C10H9N |
| InChI | InChI=1S/C10H9N/c1-9-4-6-10(7-5-9)3-2-8-11/h2-7H,1H3 |
| InChIKey | WHECQDVQLPVCRX-UHFFFAOYSA-N |
| Molecular Weight | 143.189 g/mol |
| SMILES | C=1C=C(C)C=CC1C=CC#N |
| Spectrum/Structure Validation Score (Raman) | 0.774076 |