| SpectraBase Compound ID | EddIQiPwlEc |
|---|---|
| InChI | InChI=1S/C14H8N2O/c15-9-11-1-5-13(6-2-11)17-14-7-3-12(10-16)4-8-14/h1-8H |
| InChIKey | RSAUOQFEFINEDM-UHFFFAOYSA-N |
| Mol Weight | 220.23 g/mol |
| Molecular Formula | C14H8N2O |
| Exact Mass | 220.063663 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | GCpiUt8H3bh |
|---|---|
| Name | 4,4'-Oxydibenzonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.063662885 u |
| Formula | C14H8N2O |
| InChI | InChI=1S/C14H8N2O/c15-9-11-1-5-13(6-2-11)17-14-7-3-12(10-16)4-8-14/h1-8H |
| InChIKey | RSAUOQFEFINEDM-UHFFFAOYSA-N |
| Molecular Weight | 220.231 g/mol |
| SMILES | C=1C(=CC=C(C1)C#N)OC=1C=CC(=CC1)C#N |
| Spectrum/Structure Validation Score (Raman) | 0.956726 |