| SpectraBase Compound ID | CmlYsfCbQU4 |
|---|---|
| InChI | InChI=1S/C16H21NO4/c1-3-4-7-12-21-16(19)11-10-15(18)17-13-8-5-6-9-14(13)20-2/h5-6,8-11H,3-4,7,12H2,1-2H3,(H,17,18)/b11-10+ |
| InChIKey | UEZMPGJUIBBBND-ZHACJKMWSA-N |
| Mol Weight | 291.35 g/mol |
| Molecular Formula | C16H21NO4 |
| Exact Mass | 291.147058 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BvWMg112e8k |
|---|---|
| Name | Fumaric acid, monoamide, N-(2-methoxyphenyl)-, pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 291.147058156 u |
| Formula | C16H21NO4 |
| InChI | InChI=1S/C16H21NO4/c1-3-4-7-12-21-16(19)11-10-15(18)17-13-8-5-6-9-14(13)20-2/h5-6,8-11H,3-4,7,12H2,1-2H3,(H,17,18)/b11-10+ |
| InChIKey | UEZMPGJUIBBBND-ZHACJKMWSA-N |
| SMILES | C(NC1=CC=CC=C1OC)(\C=C\C(OCCCCC)=O)=O |