| SpectraBase Compound ID | FZynqMaVKVm |
|---|---|
| InChI | InChI=1S/C16H8N2/c17-11-14-5-3-4-13(10-14)8-9-15-6-1-2-7-16(15)12-18/h1-7,10H |
| InChIKey | YZCSDTPVBVBWQP-UHFFFAOYSA-N |
| Mol Weight | 228.25 g/mol |
| Molecular Formula | C16H8N2 |
| Exact Mass | 228.068748 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DiuL46vrYBm |
|---|---|
| Name | 2,3'-Dicyanodiphenylacetylene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.068748266 u |
| Formula | C16H8N2 |
| InChI | InChI=1S/C16H8N2/c17-11-14-5-3-4-13(10-14)8-9-15-6-1-2-7-16(15)12-18/h1-7,10H |
| InChIKey | YZCSDTPVBVBWQP-UHFFFAOYSA-N |
| Molecular Weight | 228.254 g/mol |
| SMILES | C(#CC1=CC(C#N)=CC=C1)C1=C(C#N)C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.830531 |