| SpectraBase Compound ID | 8als7uswbi8 |
|---|---|
| InChI | InChI=1S/C15H10N2O/c16-9-13-7-4-8-15(14(13)10-17)18-11-12-5-2-1-3-6-12/h1-8H,11H2 |
| InChIKey | DMCSCRADMZTRBC-UHFFFAOYSA-N |
| Mol Weight | 234.26 g/mol |
| Molecular Formula | C15H10N2O |
| Exact Mass | 234.079313 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GJXB8OIR7q7 |
|---|---|
| Name | 3-Benzoxyphthalonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.079312949 u |
| Formula | C15H10N2O |
| InChI | InChI=1S/C15H10N2O/c16-9-13-7-4-8-15(14(13)10-17)18-11-12-5-2-1-3-6-12/h1-8H,11H2 |
| InChIKey | DMCSCRADMZTRBC-UHFFFAOYSA-N |
| Molecular Weight | 234.258 g/mol |
| SMILES | C(C=1C(C#N)=C(C=CC1)OCC=1C=CC=CC1)#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.940504 |