![5-[(2-Chlorobenzyl)amino]-5-oxopentanoic acid](/api/spectrum/LpUzoLSDyz8/structure.png?h=300&w=458 "5-[(2-Chlorobenzyl)amino]-5-oxopentanoic acid")
| SpectraBase Compound ID | 6fF6EtHY2Da |
|---|---|
| InChI | InChI=1S/C12H14ClNO3/c13-10-5-2-1-4-9(10)8-14-11(15)6-3-7-12(16)17/h1-2,4-5H,3,6-8H2,(H,14,15)(H,16,17) |
| InChIKey | WSRZWWVHZMLUGL-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 | LpUzoLSDyz8 |
|---|---|
| Name | 5-[(2-Chlorobenzyl)amino]-5-oxopentanoic 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/c13-10-5-2-1-4-9(10)8-14-11(15)6-3-7-12(16)17/h1-2,4-5H,3,6-8H2,(H,14,15)(H,16,17) |
| InChIKey | WSRZWWVHZMLUGL-UHFFFAOYSA-N |
| Molecular Weight | 255.701 g/mol |
| SMILES | N(CC1=C(Cl)C=CC=C1)C(CCCC(=O)O)=O |