| SpectraBase Compound ID | FBohHqHD4OL |
|---|---|
| InChI | InChI=1S/C10H11N/c1-3-9-6-4-5-8(2)10(9)7-11/h4-6H,3H2,1-2H3 |
| InChIKey | CTDSMBHUQCGSOQ-UHFFFAOYSA-N |
| Mol Weight | 145.2 g/mol |
| Molecular Formula | C10H11N |
| Exact Mass | 145.089149 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 8F0fHdyO6d7 |
|---|---|
| Name | 6-Ethyl-o-tolunitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 145.089149358 u |
| Formula | C10H11N |
| InChI | InChI=1S/C10H11N/c1-3-9-6-4-5-8(2)10(9)7-11/h4-6H,3H2,1-2H3 |
| InChIKey | CTDSMBHUQCGSOQ-UHFFFAOYSA-N |
| Molecular Weight | 145.205 g/mol |
| SMILES | C=1C(=C(C(=CC1)C)C#N)CC |
| Spectrum/Structure Validation Score (Raman) | 0.731337 |