![L-Alanine, N-[(2,4-dichlorophenoxy)acetyl]-](/api/spectrum/glnVkPw2S8/structure.png?h=300&w=458 "L-Alanine, N-[(2,4-dichlorophenoxy)acetyl]-")
| SpectraBase Compound ID | 6KvmtIOxW1l |
|---|---|
| InChI | InChI=1S/C11H11Cl2NO4/c1-6(11(16)17)14-10(15)5-18-9-3-2-7(12)4-8(9)13/h2-4,6H,5H2,1H3,(H,14,15)(H,16,17) |
| InChIKey | SHQGIYUBFHJOPP-UHFFFAOYSA-N |
| Mol Weight | 292.12 g/mol |
| Molecular Formula | C11H11Cl2NO4 |
| Exact Mass | 291.006513 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | glnVkPw2S8 |
|---|---|
| Name | L-Alanine, N-[(2,4-dichlorophenoxy)acetyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 291.006513234 u |
| Formula | C11H11Cl2NO4 |
| InChI | InChI=1S/C11H11Cl2NO4/c1-6(11(16)17)14-10(15)5-18-9-3-2-7(12)4-8(9)13/h2-4,6H,5H2,1H3,(H,14,15)(H,16,17) |
| InChIKey | SHQGIYUBFHJOPP-UHFFFAOYSA-N |
| Molecular Weight | 292.118 g/mol |
| SMILES | C(OC1=C(Cl)C=C(C=C1)Cl)C(N[C@](C(O)=O)(C)[H])=O |