| SpectraBase Compound ID | DSFw9I9k549 |
|---|---|
| InChI | InChI=1S/C18H16N2O/c1-12(2)17-7-4-13(3)8-18(17)21-16-6-5-14(10-19)15(9-16)11-20/h4-9,12H,1-3H3 |
| InChIKey | GQYRGRWSBWFTOZ-UHFFFAOYSA-N |
| Mol Weight | 276.34 g/mol |
| Molecular Formula | C18H16N2O |
| Exact Mass | 276.126263 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KvVq2ixaGkW |
|---|---|
| Name | 4-(2-Isopropyl-5-methylphenoxy)phthalonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.126263142 u |
| Formula | C18H16N2O |
| InChI | InChI=1S/C18H16N2O/c1-12(2)17-7-4-13(3)8-18(17)21-16-6-5-14(10-19)15(9-16)11-20/h4-9,12H,1-3H3 |
| InChIKey | GQYRGRWSBWFTOZ-UHFFFAOYSA-N |
| Molecular Weight | 276.339 g/mol |
| SMILES | C=1(C(=CC=C(C1)C)C(C)C)OC=1C=C(C#N)C(C#N)=CC1 |