| SpectraBase Compound ID | FKL8jvjhIh0 |
|---|---|
| InChI | InChI=1S/C15H12F5NO3/c1-7-5-8(21-24-7)3-2-4-10(22)23-6-9-11(16)13(18)15(20)14(19)12(9)17/h5H,2-4,6H2,1H3 |
| InChIKey | WPGYRONTDMJFGT-UHFFFAOYSA-N |
| Mol Weight | 349.26 g/mol |
| Molecular Formula | C15H12F5NO3 |
| Exact Mass | 349.073734 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7joZXYcaSPX |
|---|---|
| Name | 5-Methyl-3-isoxazolebutanoic acid, pfb |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 349.073734062 u |
| Formula | C15H12F5NO3 |
| InChI | InChI=1S/C15H12F5NO3/c1-7-5-8(21-24-7)3-2-4-10(22)23-6-9-11(16)13(18)15(20)14(19)12(9)17/h5H,2-4,6H2,1H3 |
| InChIKey | WPGYRONTDMJFGT-UHFFFAOYSA-N |
| Molecular Weight | 349.257 g/mol |
| SMILES | C=1(C=C(C)ON1)CCCC(=O)OCC1=C(C(=C(C(=C1F)F)F)F)F |