![5-{[2-(4-Chlorophenyl)ethyl]amino}-3-methyl-5-oxopentanoic acid](/api/spectrum/2cht5pBCBdb/structure.png?h=300&w=458 "5-{[2-(4-Chlorophenyl)ethyl]amino}-3-methyl-5-oxopentanoic acid")
| SpectraBase Compound ID | Kgp3heoquSg |
|---|---|
| InChI | InChI=1S/C14H18ClNO3/c1-10(9-14(18)19)8-13(17)16-7-6-11-2-4-12(15)5-3-11/h2-5,10H,6-9H2,1H3,(H,16,17)(H,18,19) |
| InChIKey | BJRQSWJMVBAJMZ-UHFFFAOYSA-N |
| Mol Weight | 283.75 g/mol |
| Molecular Formula | C14H18ClNO3 |
| Exact Mass | 283.097521 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2cht5pBCBdb |
|---|---|
| Name | 5-{[2-(4-Chlorophenyl)ethyl]amino}-3-methyl-5-oxopentanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 283.097521141 u |
| Formula | C14H18ClNO3 |
| InChI | InChI=1S/C14H18ClNO3/c1-10(9-14(18)19)8-13(17)16-7-6-11-2-4-12(15)5-3-11/h2-5,10H,6-9H2,1H3,(H,16,17)(H,18,19) |
| InChIKey | BJRQSWJMVBAJMZ-UHFFFAOYSA-N |
| SMILES | C1(Cl)=CC=C(C=C1)CCNC(=O)CC(CC(=O)O)C |