| SpectraBase Compound ID | 8Izzw0cUGih |
|---|---|
| InChI | InChI=1S/C14H17NO3/c1-3-11-7-5-6-8-12(11)15-13(16)9-10-14(17)18-4-2/h5-10H,3-4H2,1-2H3,(H,15,16)/b10-9+ |
| InChIKey | WFJSNNXPXKTQKR-MDZDMXLPSA-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 | IkzhZEfsjzj |
|---|---|
| Name | Fumaric acid, monoamide, N-(2-ethylphenyl)-, 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/c1-3-11-7-5-6-8-12(11)15-13(16)9-10-14(17)18-4-2/h5-10H,3-4H2,1-2H3,(H,15,16)/b10-9+ |
| InChIKey | WFJSNNXPXKTQKR-MDZDMXLPSA-N |
| Molecular Weight | 247.294 g/mol |
| SMILES | C(NC1=CC=CC=C1CC)(\C=C\C(OCC)=O)=O |