| SpectraBase Compound ID | LNioQ87zWcZ |
|---|---|
| InChI | InChI=1S/C12H12N2/c1-7-8(2)12(6-14)10(4)9(3)11(7)5-13/h1-4H3 |
| InChIKey | QXZOTYQXMMTSQB-UHFFFAOYSA-N |
| Mol Weight | 184.24 g/mol |
| Molecular Formula | C12H12N2 |
| Exact Mass | 184.100048 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BDYdFCfo8CC |
|---|---|
| Name | 2,3,5,6-Tetramethylbenzene-1,4-dicarbonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.100048394 u |
| Formula | C12H12N2 |
| InChI | InChI=1S/C12H12N2/c1-7-8(2)12(6-14)10(4)9(3)11(7)5-13/h1-4H3 |
| InChIKey | QXZOTYQXMMTSQB-UHFFFAOYSA-N |
| Molecular Weight | 184.242 g/mol |
| SMILES | C=1(C(=C(C(=C(C1C)C)C#N)C)C)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.955398 |