![4,4'-Methylenebis[3-methyl-5-phenylisoxazole]](/api/spectrum/2R267ngZ1iw/structure.png?h=300&w=458 "4,4'-Methylenebis[3-methyl-5-phenylisoxazole]")
| SpectraBase Compound ID | EGc7OlZogkL |
|---|---|
| InChI | InChI=1S/C21H18N2O2/c1-14-18(20(24-22-14)16-9-5-3-6-10-16)13-19-15(2)23-25-21(19)17-11-7-4-8-12-17/h3-12H,13H2,1-2H3 |
| InChIKey | WQFYJBMZDDVDOW-UHFFFAOYSA-N |
| Mol Weight | 330.39 g/mol |
| Molecular Formula | C21H18N2O2 |
| Exact Mass | 330.136828 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2R267ngZ1iw |
|---|---|
| Name | 4,4'-Methylenebis[3-methyl-5-phenylisoxazole] |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.136827826 u |
| Formula | C21H18N2O2 |
| InChI | InChI=1S/C21H18N2O2/c1-14-18(20(24-22-14)16-9-5-3-6-10-16)13-19-15(2)23-25-21(19)17-11-7-4-8-12-17/h3-12H,13H2,1-2H3 |
| InChIKey | WQFYJBMZDDVDOW-UHFFFAOYSA-N |
| Molecular Weight | 330.387 g/mol |
| SMILES | C1(CC=2C(=NOC2C=2C=CC=CC2)C)=C(ON=C1C)C=1C=CC=CC1 |