| SpectraBase Compound ID | 4YKR29oGAmQ |
|---|---|
| InChI | InChI=1S/C12H12N2O/c1-9(2)8-15-12-4-3-10(6-13)11(5-12)7-14/h3-5,9H,8H2,1-2H3 |
| InChIKey | RZVVJPBLPKUZRO-UHFFFAOYSA-N |
| Mol Weight | 200.24 g/mol |
| Molecular Formula | C12H12N2O |
| Exact Mass | 200.094963 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EihDSP3uZeV |
|---|---|
| Name | 4-Isobutoxyphthalonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.094963013 u |
| Formula | C12H12N2O |
| InChI | InChI=1S/C12H12N2O/c1-9(2)8-15-12-4-3-10(6-13)11(5-12)7-14/h3-5,9H,8H2,1-2H3 |
| InChIKey | RZVVJPBLPKUZRO-UHFFFAOYSA-N |
| Molecular Weight | 200.241 g/mol |
| SMILES | C(#N)C1=C(C#N)C=CC(=C1)OCC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.898022 |