![Propanoic acid, 3-[3-(acetylamino)phenoxy]-](/api/spectrum/6ev6l2J0zsS/structure.png?h=300&w=458 "Propanoic acid, 3-[3-(acetylamino)phenoxy]-")
| SpectraBase Compound ID | 1uXOE67J7VD |
|---|---|
| InChI | InChI=1S/C11H13NO4/c1-8(13)12-9-3-2-4-10(7-9)16-6-5-11(14)15/h2-4,7H,5-6H2,1H3,(H,12,13)(H,14,15) |
| InChIKey | DHBIIXOBOKGGGC-UHFFFAOYSA-N |
| Mol Weight | 223.23 g/mol |
| Molecular Formula | C11H13NO4 |
| Exact Mass | 223.084458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6ev6l2J0zsS |
|---|---|
| Name | Propanoic acid, 3-[3-(acetylamino)phenoxy]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 223.084457899 u |
| Formula | C11H13NO4 |
| InChI | InChI=1S/C11H13NO4/c1-8(13)12-9-3-2-4-10(7-9)16-6-5-11(14)15/h2-4,7H,5-6H2,1H3,(H,12,13)(H,14,15) |
| InChIKey | DHBIIXOBOKGGGC-UHFFFAOYSA-N |
| Molecular Weight | 223.228 g/mol |
| SMILES | CC(=O)NC1=CC=CC(=C1)OCCC(O)=O |