| SpectraBase Compound ID | JoV8jnBWmLG |
|---|---|
| InChI | InChI=1S/C14H6N4/c15-7-13(8-16)5-11-2-1-3-12(4-11)6-14(9-17)10-18/h1-6H |
| InChIKey | PFCGCDSJVMFOLS-UHFFFAOYSA-N |
| Mol Weight | 230.23 g/mol |
| Molecular Formula | C14H6N4 |
| Exact Mass | 230.059246 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 4pzUWTQ5JPs |
|---|---|
| Name | (m-Phenylenedimethylidyne)dimalononitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.059246209 u |
| Formula | C14H6N4 |
| InChI | InChI=1S/C14H6N4/c15-7-13(8-16)5-11-2-1-3-12(4-11)6-14(9-17)10-18/h1-6H |
| InChIKey | PFCGCDSJVMFOLS-UHFFFAOYSA-N |
| Molecular Weight | 230.230 g/mol |
| SMILES | C=1C(=CC=CC1C=C(C#N)C#N)C=C(C#N)C#N |
| Spectrum/Structure Validation Score (Raman) | 0.852861 |