![4-[(4-Chloro-2-fluorophenyl)amino]-4-oxobutanoic acid, tms](/api/spectrum/vPhx6VWdxG/structure.png?h=300&w=458 "4-[(4-Chloro-2-fluorophenyl)amino]-4-oxobutanoic acid, tms")
| SpectraBase Compound ID | INRcj8HBDxV |
|---|---|
| InChI | InChI=1S/C13H17ClFNO3Si/c1-20(2,3)19-13(18)7-6-12(17)16-11-5-4-9(14)8-10(11)15/h4-5,8H,6-7H2,1-3H3,(H,16,17) |
| InChIKey | WZIBUUIHMFOVCP-UHFFFAOYSA-N |
| Mol Weight | 317.82 g/mol |
| Molecular Formula | C13H17ClFNO3Si |
| Exact Mass | 317.065026 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | vPhx6VWdxG |
|---|---|
| Name | 4-[(4-Chloro-2-fluorophenyl)amino]-4-oxobutanoic acid, tms |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 317.065025806 u |
| Formula | C13H17ClFNO3Si |
| InChI | InChI=1S/C13H17ClFNO3Si/c1-20(2,3)19-13(18)7-6-12(17)16-11-5-4-9(14)8-10(11)15/h4-5,8H,6-7H2,1-3H3,(H,16,17) |
| InChIKey | WZIBUUIHMFOVCP-UHFFFAOYSA-N |
| Molecular Weight | 317.819 g/mol |
| SMILES | C(CCC(=O)NC1=C(C=C(C=C1)Cl)F)(=O)O[Si](C)(C)C |