![4-[4-(4-Cyanophenoxy)anilino]-4-oxobutanoic acid](/api/spectrum/DxSXgau4rVg/structure.png?h=300&w=458 "4-[4-(4-Cyanophenoxy)anilino]-4-oxobutanoic acid")
| SpectraBase Compound ID | 1hhJfHSw54j |
|---|---|
| InChI | InChI=1S/C17H14N2O4/c18-11-12-1-5-14(6-2-12)23-15-7-3-13(4-8-15)19-16(20)9-10-17(21)22/h1-8H,9-10H2,(H,19,20)(H,21,22) |
| InChIKey | BOOQKWPAZAOIDV-UHFFFAOYSA-N |
| Mol Weight | 310.31 g/mol |
| Molecular Formula | C17H14N2O4 |
| Exact Mass | 310.095357 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DxSXgau4rVg |
|---|---|
| Name | 4-[4-(4-Cyanophenoxy)anilino]-4-oxobutanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.095356935 u |
| Formula | C17H14N2O4 |
| InChI | InChI=1S/C17H14N2O4/c18-11-12-1-5-14(6-2-12)23-15-7-3-13(4-8-15)19-16(20)9-10-17(21)22/h1-8H,9-10H2,(H,19,20)(H,21,22) |
| InChIKey | BOOQKWPAZAOIDV-UHFFFAOYSA-N |
| Molecular Weight | 310.309 g/mol |
| SMILES | N(C(CCC(=O)O)=O)C1=CC=C(OC2=CC=C(C#N)C=C2)C=C1 |