![Benzoic acid, 3-[(3,5-dimethyl-4-isoxazolyl)methoxy]-](/api/spectrum/41FsehvCzDa/structure.png?h=300&w=458 "Benzoic acid, 3-[(3,5-dimethyl-4-isoxazolyl)methoxy]-")
| SpectraBase Compound ID | 1azRO0HJHok |
|---|---|
| InChI | InChI=1S/C13H13NO4/c1-8-12(9(2)18-14-8)7-17-11-5-3-4-10(6-11)13(15)16/h3-6H,7H2,1-2H3,(H,15,16) |
| InChIKey | NSODFQJPVJFTLK-UHFFFAOYSA-N |
| Mol Weight | 247.25 g/mol |
| Molecular Formula | C13H13NO4 |
| Exact Mass | 247.084458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 41FsehvCzDa |
|---|---|
| Name | Benzoic acid, 3-[(3,5-dimethyl-4-isoxazolyl)methoxy]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 247.084457899 u |
| Formula | C13H13NO4 |
| InChI | InChI=1S/C13H13NO4/c1-8-12(9(2)18-14-8)7-17-11-5-3-4-10(6-11)13(15)16/h3-6H,7H2,1-2H3,(H,15,16) |
| InChIKey | NSODFQJPVJFTLK-UHFFFAOYSA-N |
| Molecular Weight | 247.250 g/mol |
| SMILES | OC(C=1C=C(OCC2=C(ON=C2C)C)C=CC1)=O |