![L-Valine, N-[(2,4-dichlorophenoxy)acetyl]-](/api/spectrum/CJbFHD6zFVX/structure.png?h=300&w=458 "L-Valine, N-[(2,4-dichlorophenoxy)acetyl]-")
| SpectraBase Compound ID | 81lhZoClGJv |
|---|---|
| InChI | InChI=1S/C13H15Cl2NO4/c1-7(2)12(13(18)19)16-11(17)6-20-10-4-3-8(14)5-9(10)15/h3-5,7,12H,6H2,1-2H3,(H,16,17)(H,18,19) |
| InChIKey | GPBUKZZLRKVOJZ-UHFFFAOYSA-N |
| Mol Weight | 320.17 g/mol |
| Molecular Formula | C13H15Cl2NO4 |
| Exact Mass | 319.037813 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CJbFHD6zFVX |
|---|---|
| Name | L-Valine, N-[(2,4-dichlorophenoxy)acetyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 319.037813363 u |
| Formula | C13H15Cl2NO4 |
| InChI | InChI=1S/C13H15Cl2NO4/c1-7(2)12(13(18)19)16-11(17)6-20-10-4-3-8(14)5-9(10)15/h3-5,7,12H,6H2,1-2H3,(H,16,17)(H,18,19) |
| InChIKey | GPBUKZZLRKVOJZ-UHFFFAOYSA-N |
| Molecular Weight | 320.172 g/mol |
| SMILES | C(OC1=C(Cl)C=C(C=C1)Cl)C(N[C@@](C(C)C)(C(O)=O)[H])=O |