![5-[(3,4-Dichlorobenzyl)amino]-5-oxopentanoic acid](/api/spectrum/2M4qwkULLyN/structure.png?h=300&w=458 "5-[(3,4-Dichlorobenzyl)amino]-5-oxopentanoic acid")
| SpectraBase Compound ID | 2t7M8u73Cda |
|---|---|
| InChI | InChI=1S/C12H13Cl2NO3/c13-9-5-4-8(6-10(9)14)7-15-11(16)2-1-3-12(17)18/h4-6H,1-3,7H2,(H,15,16)(H,17,18) |
| InChIKey | VYIGYZKMVPZXIA-UHFFFAOYSA-N |
| Mol Weight | 290.15 g/mol |
| Molecular Formula | C12H13Cl2NO3 |
| Exact Mass | 289.027249 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2M4qwkULLyN |
|---|---|
| Name | 5-[(3,4-Dichlorobenzyl)amino]-5-oxopentanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.027248680 u |
| Formula | C12H13Cl2NO3 |
| InChI | InChI=1S/C12H13Cl2NO3/c13-9-5-4-8(6-10(9)14)7-15-11(16)2-1-3-12(17)18/h4-6H,1-3,7H2,(H,15,16)(H,17,18) |
| InChIKey | VYIGYZKMVPZXIA-UHFFFAOYSA-N |
| Molecular Weight | 290.146 g/mol |
| SMILES | N(C(CCCC(=O)O)=O)CC1=CC(=C(C=C1)Cl)Cl |