![4-[(Chloroacetyl)amino]-3-phenylbutanoic acid](/api/spectrum/3q7brPne5rE/structure.png?h=300&w=458 "4-[(Chloroacetyl)amino]-3-phenylbutanoic acid")
| SpectraBase Compound ID | 1MfSmprbC8k |
|---|---|
| InChI | InChI=1S/C12H14ClNO3/c13-7-11(15)14-8-10(6-12(16)17)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,15)(H,16,17) |
| InChIKey | VKXGOVCDMBEPRJ-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 | 3q7brPne5rE |
|---|---|
| Name | 4-[(Chloroacetyl)amino]-3-phenylbutanoic 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/c13-7-11(15)14-8-10(6-12(16)17)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,15)(H,16,17) |
| InChIKey | VKXGOVCDMBEPRJ-UHFFFAOYSA-N |
| Molecular Weight | 255.701 g/mol |
| SMILES | N(C(=O)CCl)CC(CC(=O)O)C=1C=CC=CC1 |