| SpectraBase Compound ID | GWriPVeAIEK |
|---|---|
| InChI | InChI=1S/C12H14ClNO3/c1-2-3-10(12(16)17)11(15)14-9-6-4-8(13)5-7-9/h4-7,10H,2-3H2,1H3,(H,14,15)(H,16,17) |
| InChIKey | JISLPYVXMSWXMU-UHFFFAOYSA-N |
| Mol Weight | 255.7 g/mol |
| Molecular Formula | C12H14ClNO3 |
| Exact Mass | 255.066221 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AlfUENXQN8L |
|---|---|
| Name | 2-(4-Chlorophenylcarbamoyl)pentanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 255.066221012 u |
| Formula | C12H14ClNO3 |
| InChI | InChI=1S/C12H14ClNO3/c1-2-3-10(12(16)17)11(15)14-9-6-4-8(13)5-7-9/h4-7,10H,2-3H2,1H3,(H,14,15)(H,16,17) |
| InChIKey | JISLPYVXMSWXMU-UHFFFAOYSA-N |
| Molecular Weight | 255.701 g/mol |
| SMILES | C(C(CCC)C(NC=1C=CC(=CC1)Cl)=O)(=O)O |