| SpectraBase Compound ID | CGhXTzjac2y |
|---|---|
| InChI | InChI=1S/C14H17NO3/c1-4-18-14(17)8-7-13(16)15-12-6-5-10(2)11(3)9-12/h5-9H,4H2,1-3H3,(H,15,16)/b8-7+ |
| InChIKey | QJTREXDFLONSCY-BQYQJAHWSA-N |
| Mol Weight | 247.29 g/mol |
| Molecular Formula | C14H17NO3 |
| Exact Mass | 247.120843 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FecGde65ixE |
|---|---|
| Name | Fumaric acid, monoamide, N-(3,4-dimethylphenyl)-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 247.120843408 u |
| Formula | C14H17NO3 |
| InChI | InChI=1S/C14H17NO3/c1-4-18-14(17)8-7-13(16)15-12-6-5-10(2)11(3)9-12/h5-9H,4H2,1-3H3,(H,15,16)/b8-7+ |
| InChIKey | QJTREXDFLONSCY-BQYQJAHWSA-N |
| Molecular Weight | 247.294 g/mol |
| SMILES | C(NC1=CC=C(C)C(C)=C1)(\C=C\C(OCC)=O)=O |