| SpectraBase Compound ID | 85yXmB4OaO5 |
|---|---|
| InChI | InChI=1S/C18H8N4/c19-9-17(10-20)15-7-3-1-5-13(15)14-6-2-4-8-16(14)18(17,11-21)12-22/h1-8H |
| InChIKey | CHXLXHYGQOQVMT-UHFFFAOYSA-N |
| Mol Weight | 280.29 g/mol |
| Molecular Formula | C18H8N4 |
| Exact Mass | 280.074896 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7aGQS06hflk |
|---|---|
| Name | Phenanthrene-9,9,10,10-tetracarbonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.074896274 u |
| Formula | C18H8N4 |
| InChI | InChI=1S/C18H8N4/c19-9-17(10-20)15-7-3-1-5-13(15)14-6-2-4-8-16(14)18(17,11-21)12-22/h1-8H |
| InChIKey | CHXLXHYGQOQVMT-UHFFFAOYSA-N |
| SMILES | C=1C=CC=C2C=3C=CC=CC3C(C(C12)(C#N)C#N)(C#N)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.931138 |