| SpectraBase Compound ID | A63EdmWt1z2 |
|---|---|
| InChI | InChI=1S/C16H21NO3/c1-4-13-7-5-6-8-14(13)17-15(18)9-10-16(19)20-11-12(2)3/h5-10,12H,4,11H2,1-3H3,(H,17,18)/b10-9+ |
| InChIKey | YXVQIZPEWOLMHI-MDZDMXLPSA-N |
| Mol Weight | 275.35 g/mol |
| Molecular Formula | C16H21NO3 |
| Exact Mass | 275.152144 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FuvT5cvK3NT |
|---|---|
| Name | Fumaric acid, monoamide, N-(2-ethylphenyl)-, isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 275.152143537 u |
| Formula | C16H21NO3 |
| InChI | InChI=1S/C16H21NO3/c1-4-13-7-5-6-8-14(13)17-15(18)9-10-16(19)20-11-12(2)3/h5-10,12H,4,11H2,1-3H3,(H,17,18)/b10-9+ |
| InChIKey | YXVQIZPEWOLMHI-MDZDMXLPSA-N |
| Molecular Weight | 275.348 g/mol |
| SMILES | C1(=CC=CC=C1CC)NC(\C=C\C(OCC(C)C)=O)=O |