| SpectraBase Compound ID | IX0PpAneaBC |
|---|---|
| InChI | InChI=1S/C14H8N2O/c15-9-11-5-4-8-14(13(11)10-16)17-12-6-2-1-3-7-12/h1-8H |
| InChIKey | XTWFKMOELYYKGC-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 | LIQNYmT5WxX |
|---|---|
| Name | 3-Phenoxyphthalonitrile |
| 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/c15-9-11-5-4-8-14(13(11)10-16)17-12-6-2-1-3-7-12/h1-8H |
| InChIKey | XTWFKMOELYYKGC-UHFFFAOYSA-N |
| Molecular Weight | 220.231 g/mol |
| SMILES | C1(OC2=C(C(C#N)=CC=C2)C#N)=CC=CC=C1 |
| Spectrum/Structure Validation Score (Raman) | 0.854761 |