| SpectraBase Compound ID | 2Rog28UWiM8 |
|---|---|
| InChI | InChI=1S/C15H17NO5/c1-4-10-16-13(17)8-9-14(18)21-15-11(19-2)6-5-7-12(15)20-3/h4-9H,1,10H2,2-3H3,(H,16,17)/b9-8+ |
| InChIKey | PGCWKNKGGMFTEF-CMDGGOBGSA-N |
| Mol Weight | 291.3 g/mol |
| Molecular Formula | C15H17NO5 |
| Exact Mass | 291.110673 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AHwfuXEIHWk |
|---|---|
| Name | Fumaric acid, monoamide, N-allyl-, 2,6-dimethoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 291.110672646 u |
| Formula | C15H17NO5 |
| InChI | InChI=1S/C15H17NO5/c1-4-10-16-13(17)8-9-14(18)21-15-11(19-2)6-5-7-12(15)20-3/h4-9H,1,10H2,2-3H3,(H,16,17)/b9-8+ |
| InChIKey | PGCWKNKGGMFTEF-CMDGGOBGSA-N |
| SMILES | C=CCNC(=O)\C=C\C(OC1=C(C=CC=C1OC)OC)=O |