![Acetic acid, [[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]amino]oxo-, ethyl ester](/api/spectrum/Egj3naj5bdU/structure.png?h=300&w=458 "Acetic acid, [[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]amino]oxo-, ethyl ester")
| SpectraBase Compound ID | 7YJZrW3oXLW |
|---|---|
| InChI | InChI=1S/C13H15NO5/c1-2-17-13(16)12(15)14-7-9-8-18-10-5-3-4-6-11(10)19-9/h3-6,9H,2,7-8H2,1H3,(H,14,15) |
| InChIKey | IXXYVEFUUBQSLE-UHFFFAOYSA-N |
| Mol Weight | 265.26 g/mol |
| Molecular Formula | C13H15NO5 |
| Exact Mass | 265.095023 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Egj3naj5bdU |
|---|---|
| Name | Acetic acid, [[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]amino]oxo-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 265.095022582 u |
| Formula | C13H15NO5 |
| InChI | InChI=1S/C13H15NO5/c1-2-17-13(16)12(15)14-7-9-8-18-10-5-3-4-6-11(10)19-9/h3-6,9H,2,7-8H2,1H3,(H,14,15) |
| InChIKey | IXXYVEFUUBQSLE-UHFFFAOYSA-N |
| Molecular Weight | 265.265 g/mol |
| SMILES | N(C(C(=O)OCC)=O)CC1OC2=CC=CC=C2OC1 |