![4-[3,5-bis(Methoxycarbonyl)anilino]-4-oxobutanoic acid](/api/spectrum/DkySxW8llxM/structure.png?h=300&w=458 "4-[3,5-bis(Methoxycarbonyl)anilino]-4-oxobutanoic acid")
| SpectraBase Compound ID | 5fMOymSrPZb |
|---|---|
| InChI | InChI=1S/C14H15NO7/c1-21-13(19)8-5-9(14(20)22-2)7-10(6-8)15-11(16)3-4-12(17)18/h5-7H,3-4H2,1-2H3,(H,15,16)(H,17,18) |
| InChIKey | PPUVMTUBSOPBLA-UHFFFAOYSA-N |
| Mol Weight | 309.27 g/mol |
| Molecular Formula | C14H15NO7 |
| Exact Mass | 309.084852 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DkySxW8llxM |
|---|---|
| Name | 4-[3,5-bis(Methoxycarbonyl)anilino]-4-oxobutanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 309.084851820 u |
| Formula | C14H15NO7 |
| InChI | InChI=1S/C14H15NO7/c1-21-13(19)8-5-9(14(20)22-2)7-10(6-8)15-11(16)3-4-12(17)18/h5-7H,3-4H2,1-2H3,(H,15,16)(H,17,18) |
| InChIKey | PPUVMTUBSOPBLA-UHFFFAOYSA-N |
| SMILES | N(C1=CC(C(=O)OC)=CC(C(=O)OC)=C1)C(CCC(=O)O)=O |