| SpectraBase Compound ID | 2hxobsfxonb |
|---|---|
| InChI | InChI=1S/C14H17NO5/c1-4-20-14(17)8-7-13(16)15-11-9-10(18-2)5-6-12(11)19-3/h5-9H,4H2,1-3H3,(H,15,16)/b8-7+ |
| InChIKey | ROXCYAXHFFJWBA-BQYQJAHWSA-N |
| Mol Weight | 279.29 g/mol |
| Molecular Formula | C14H17NO5 |
| Exact Mass | 279.110673 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IYnRPsHrqB7 |
|---|---|
| Name | Fumaric acid, monoamide, N-(2,5-dimethoxyphenyl)-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 279.110672646 u |
| Formula | C14H17NO5 |
| InChI | InChI=1S/C14H17NO5/c1-4-20-14(17)8-7-13(16)15-11-9-10(18-2)5-6-12(11)19-3/h5-9H,4H2,1-3H3,(H,15,16)/b8-7+ |
| InChIKey | ROXCYAXHFFJWBA-BQYQJAHWSA-N |
| SMILES | C(\C=C\C(NC1=C(OC)C=CC(=C1)OC)=O)(OCC)=O |