| SpectraBase Compound ID | 4LD2ctLfMGi |
|---|---|
| InChI | InChI=1S/C17H21NO5/c1-4-10-14(19)18(13-11-8-7-9-12-13)15(16(20)22-5-2)17(21)23-6-3/h4,7-12,15H,5-6H2,1-3H3/b10-4- |
| InChIKey | OMIWZJULELMEOM-WMZJFQQLSA-N |
| Mol Weight | 319.36 g/mol |
| Molecular Formula | C17H21NO5 |
| Exact Mass | 319.141973 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GOi5Jei1Lu8 |
|---|---|
| Name | N-Crotonyl-N-phenylaminomalonic acid, diethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 319.141972775 u |
| Formula | C17H21NO5 |
| InChI | InChI=1S/C17H21NO5/c1-4-10-14(19)18(13-11-8-7-9-12-13)15(16(20)22-5-2)17(21)23-6-3/h4,7-12,15H,5-6H2,1-3H3/b10-4- |
| InChIKey | OMIWZJULELMEOM-WMZJFQQLSA-N |
| Molecular Weight | 319.357 g/mol |
| SMILES | C1(=CC=CC=C1)N(C(C(OCC)=O)C(OCC)=O)C(\C=C/C)=O |