| SpectraBase Compound ID | BCsyR93dIVu |
|---|---|
| InChI | InChI=1S/C15H19NO3/c1-4-12-7-5-6-8-13(12)16-14(17)9-10-15(18)19-11(2)3/h5-11H,4H2,1-3H3,(H,16,17)/b10-9+ |
| InChIKey | VLCIZJOPVOGLQB-MDZDMXLPSA-N |
| Mol Weight | 261.32 g/mol |
| Molecular Formula | C15H19NO3 |
| Exact Mass | 261.136493 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HPbyDywT9v |
|---|---|
| Name | Fumaric acid, monoamide, N-(2-ethylphenyl)-, isopropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 261.136493473 u |
| Formula | C15H19NO3 |
| InChI | InChI=1S/C15H19NO3/c1-4-12-7-5-6-8-13(12)16-14(17)9-10-15(18)19-11(2)3/h5-11H,4H2,1-3H3,(H,16,17)/b10-9+ |
| InChIKey | VLCIZJOPVOGLQB-MDZDMXLPSA-N |
| Molecular Weight | 261.321 g/mol |
| SMILES | CCC=1C(NC(\C=C\C(=O)OC(C)C)=O)=CC=CC1 |