| SpectraBase Compound ID | D7T5wvIDxuE |
|---|---|
| InChI | InChI=1S/C22H12N2/c23-13-21-15-7-1-2-8-16(15)22(14-24,19-11-5-3-9-17(19)21)20-12-6-4-10-18(20)21/h1-12H |
| InChIKey | DQLDXRPZPKBZSF-UHFFFAOYSA-N |
| Mol Weight | 304.35 g/mol |
| Molecular Formula | C22H12N2 |
| Exact Mass | 304.100048 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CTLdNoMoX3r |
|---|---|
| Name | Pentacyclo[6.6.6.0(2,7).0(9,14).0(15,20)]icosa-2,4,6,9,11,13,15,17,19-nonaene-1,8-dicarbonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.100048394 u |
| Formula | C22H12N2 |
| InChI | InChI=1S/C22H12N2/c23-13-21-15-7-1-2-8-16(15)22(14-24,19-11-5-3-9-17(19)21)20-12-6-4-10-18(20)21/h1-12H |
| InChIKey | DQLDXRPZPKBZSF-UHFFFAOYSA-N |
| Molecular Weight | 304.352 g/mol |
| SMILES | C12(C3=C(C(C4=C2C=CC=C4)(C2=C1C=CC=C2)C#N)C=CC=C3)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.954229 |