![3-[3',4'-(methylenedioxy)benzyl]-4,5-dimethyl-2(3H)-oxazolone](/api/spectrum/HdErLcRoyqW/structure.png?h=300&w=458 "3-[3',4'-(methylenedioxy)benzyl]-4,5-dimethyl-2(3H)-oxazolone")
| SpectraBase Compound ID | 7EgSFhQdMcA |
|---|---|
| InChI | InChI=1S/C13H13NO4/c1-8-9(2)18-13(15)14(8)6-10-3-4-11-12(5-10)17-7-16-11/h3-5H,6-7H2,1-2H3 |
| InChIKey | DXOKNOHCVSOEAJ-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 | HdErLcRoyqW |
|---|---|
| Name | 3-[3',4'-(Methylenedioxy)benzyl]-4,5-dimethyl-2(3H)-oxazolone |
| 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/c1-8-9(2)18-13(15)14(8)6-10-3-4-11-12(5-10)17-7-16-11/h3-5H,6-7H2,1-2H3 |
| InChIKey | DXOKNOHCVSOEAJ-UHFFFAOYSA-N |
| Molecular Weight | 247.250 g/mol |
| SMILES | C1(N(C(=C(O1)C)C)CC=1C=C2OCOC2=CC1)=O |