| SpectraBase Compound ID | 7JeRbF4Dq1S |
|---|---|
| InChI | InChI=1S/C12H14N2O/c1-8-6-9(2)12(10(3)7-8)14-11(15)4-5-13/h6-7H,4H2,1-3H3,(H,14,15) |
| InChIKey | WFTLXUGEGQVHGM-UHFFFAOYSA-N |
| Mol Weight | 202.26 g/mol |
| Molecular Formula | C12H14N2O |
| Exact Mass | 202.110613 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 4Le98oORtSo |
|---|---|
| Name | 2-Cyano-2',4',6'-trimethylacetanilide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.110613078 u |
| Formula | C12H14N2O |
| InChI | InChI=1S/C12H14N2O/c1-8-6-9(2)12(10(3)7-8)14-11(15)4-5-13/h6-7H,4H2,1-3H3,(H,14,15) |
| InChIKey | WFTLXUGEGQVHGM-UHFFFAOYSA-N |
| Molecular Weight | 202.257 g/mol |
| SMILES | N(C(CC#N)=O)C=1C(C)=CC(C)=CC1C |
| Spectrum/Structure Validation Score (Raman) | 0.969894 |