![Propanoic acid, 3-[[[(3-chlorophenyl)amino]carbonyl]amino]-](/api/spectrum/JoEAN7tyCs4/structure.png?h=300&w=458 "Propanoic acid, 3-[[[(3-chlorophenyl)amino]carbonyl]amino]-")
| SpectraBase Compound ID | 9aHHjsiFpjA |
|---|---|
| InChI | InChI=1S/C10H11ClN2O3/c11-7-2-1-3-8(6-7)13-10(16)12-5-4-9(14)15/h1-3,6H,4-5H2,(H,14,15)(H2,12,13,16) |
| InChIKey | NPKDBJRQVVIXEV-UHFFFAOYSA-N |
| Mol Weight | 242.66 g/mol |
| Molecular Formula | C10H11ClN2O3 |
| Exact Mass | 242.04582 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JoEAN7tyCs4 |
|---|---|
| Name | Propanoic acid, 3-[[[(3-chlorophenyl)amino]carbonyl]amino]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.045819919 u |
| Formula | C10H11ClN2O3 |
| InChI | InChI=1S/C10H11ClN2O3/c11-7-2-1-3-8(6-7)13-10(16)12-5-4-9(14)15/h1-3,6H,4-5H2,(H,14,15)(H2,12,13,16) |
| InChIKey | NPKDBJRQVVIXEV-UHFFFAOYSA-N |
| Molecular Weight | 242.662 g/mol |
| SMILES | C(NC1=CC=CC(=C1)Cl)(=O)NCCC(=O)O |