| SpectraBase Compound ID | DA2CBsSrdL7 |
|---|---|
| InChI | InChI=1S/C15H15N3O2/c1-15(2,3)11-6-4-10(5-7-11)13-17-14(20-18-13)12-8-9-16-19-12/h4-9H,1-3H3 |
| InChIKey | POMVBNWHEFNIIB-UHFFFAOYSA-N |
| Mol Weight | 269.3 g/mol |
| Molecular Formula | C15H15N3O2 |
| Exact Mass | 269.116427 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7K1mzfcvERS |
|---|---|
| Name | 3-(p-Tert-butylphenyl)-5-(5-isoxazolyl)-1,2,4-oxadiazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 269.116426733 u |
| Formula | C15H15N3O2 |
| InChI | InChI=1S/C15H15N3O2/c1-15(2,3)11-6-4-10(5-7-11)13-17-14(20-18-13)12-8-9-16-19-12/h4-9H,1-3H3 |
| InChIKey | POMVBNWHEFNIIB-UHFFFAOYSA-N |
| SMILES | C1=CC(=CC=C1C(C)(C)C)C=1N=C(ON1)C1=CC=NO1 |