![2H-1-Benzopyran-2-one, 7-[(3,5-dimethyl-4-isoxazolyl)methoxy]-3,4-dimethyl-](/api/spectrum/N1pyix7kDW/structure.png?h=300&w=458 "2H-1-Benzopyran-2-one, 7-[(3,5-dimethyl-4-isoxazolyl)methoxy]-3,4-dimethyl-")
| SpectraBase Compound ID | 3djRG5ytQKy |
|---|---|
| InChI | InChI=1S/C17H17NO4/c1-9-10(2)17(19)21-16-7-13(5-6-14(9)16)20-8-15-11(3)18-22-12(15)4/h5-7H,8H2,1-4H3 |
| InChIKey | VFDTZAGRIXIGRI-UHFFFAOYSA-N |
| Mol Weight | 299.33 g/mol |
| Molecular Formula | C17H17NO4 |
| Exact Mass | 299.115758 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | N1pyix7kDW |
|---|---|
| Name | 2H-1-Benzopyran-2-one, 7-[(3,5-dimethyl-4-isoxazolyl)methoxy]-3,4-dimethyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.115758027 u |
| Formula | C17H17NO4 |
| InChI | InChI=1S/C17H17NO4/c1-9-10(2)17(19)21-16-7-13(5-6-14(9)16)20-8-15-11(3)18-22-12(15)4/h5-7H,8H2,1-4H3 |
| InChIKey | VFDTZAGRIXIGRI-UHFFFAOYSA-N |
| SMILES | C1(=C(C(OC=2C=C(C=CC12)OCC=1C(=NOC1C)C)=O)C)C |