| SpectraBase Compound ID | 70TwylEcoQN |
|---|---|
| InChI | InChI=1S/C12H13NSi/c1-14(2,3)9-8-11-4-6-12(10-13)7-5-11/h4-7H,1-3H3 |
| InChIKey | WWNSLIBJQBBKKG-UHFFFAOYSA-N |
| Mol Weight | 199.33 g/mol |
| Molecular Formula | C12H13NSi |
| Exact Mass | 199.081726 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | CegKmKAsKdG |
|---|---|
| Name | 4-(Trimethylsilylethynyl)-benzonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 199.081725958 u |
| Formula | C12H13NSi |
| InChI | InChI=1S/C12H13NSi/c1-14(2,3)9-8-11-4-6-12(10-13)7-5-11/h4-7H,1-3H3 |
| InChIKey | WWNSLIBJQBBKKG-UHFFFAOYSA-N |
| Molecular Weight | 199.328 g/mol |
| SMILES | C(#N)C1=CC=C(C#C[Si](C)(C)C)C=C1 |
| Spectrum/Structure Validation Score (Raman) | 0.970918 |