| SpectraBase Compound ID | GPgJ6kwr2Bn |
|---|---|
| InChI | InChI=1S/C12H13NO4/c1-16-11(14)8-10(12(15)17-2)13-9-6-4-3-5-7-9/h3-8,13H,1-2H3/b10-8+ |
| InChIKey | LCHIHUQAZKSJRB-CSKARUKUSA-N |
| Mol Weight | 235.24 g/mol |
| Molecular Formula | C12H13NO4 |
| Exact Mass | 235.084458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JeL1ozLXZYA |
|---|---|
| Name | 2-Butenedioic acid, 2-(phenylamino)-, dimethyl ester, (Z)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.084457899 u |
| Formula | C12H13NO4 |
| InChI | InChI=1S/C12H13NO4/c1-16-11(14)8-10(12(15)17-2)13-9-6-4-3-5-7-9/h3-8,13H,1-2H3/b10-8+ |
| InChIKey | LCHIHUQAZKSJRB-CSKARUKUSA-N |
| Molecular Weight | 235.239 g/mol |
| SMILES | N(C1=CC=CC=C1)\C(C(OC)=O)=C\C(OC)=O |