![Propionic acid, 3-[(4-acetyl)phenylaminocarbonyl]-](/api/spectrum/LT8wbX5IGJ0/structure.png?h=300&w=458 "Propionic acid, 3-[(4-acetyl)phenylaminocarbonyl]-")
| SpectraBase Compound ID | Anc27FZUrNV |
|---|---|
| InChI | InChI=1S/C12H13NO4/c1-8(14)9-2-4-10(5-3-9)13-11(15)6-7-12(16)17/h2-5H,6-7H2,1H3,(H,13,15)(H,16,17) |
| InChIKey | HLGOIZJQTLJRAO-UHFFFAOYSA-N |
| Mol Weight | 235.24 g/mol |
| Molecular Formula | C12H13NO4 |
| Exact Mass | 235.084458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LT8wbX5IGJ0 |
|---|---|
| Name | Propionic acid, 3-[(4-acetyl)phenylaminocarbonyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.084457899 u |
| Formula | C12H13NO4 |
| InChI | InChI=1S/C12H13NO4/c1-8(14)9-2-4-10(5-3-9)13-11(15)6-7-12(16)17/h2-5H,6-7H2,1H3,(H,13,15)(H,16,17) |
| InChIKey | HLGOIZJQTLJRAO-UHFFFAOYSA-N |
| Molecular Weight | 235.239 g/mol |
| SMILES | C1=CC(=CC=C1NC(=O)CCC(O)=O)C(C)=O |