| SpectraBase Compound ID | 8i2KPaeIOnf |
|---|---|
| InChI | InChI=1S/C14H17NO4/c1-14(2,3)19-18-13(16)11-9-12(17-15-11)10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3 |
| InChIKey | SIGBCOWCWBYQSE-UHFFFAOYSA-N |
| Mol Weight | 263.29 g/mol |
| Molecular Formula | C14H17NO4 |
| Exact Mass | 263.115758 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Lmh3negknLU |
|---|---|
| Name | 3-Isoxazolecarboperoxoic acid, 4,5-dihydro-5-phenyl-, 1,1-dimethylethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 263.115758027 u |
| Formula | C14H17NO4 |
| InChI | InChI=1S/C14H17NO4/c1-14(2,3)19-18-13(16)11-9-12(17-15-11)10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3 |
| InChIKey | SIGBCOWCWBYQSE-UHFFFAOYSA-N |
| Molecular Weight | 263.293 g/mol |
| SMILES | C1C(ON=C1C(OOC(C)(C)C)=O)C1=CC=CC=C1 |