| SpectraBase Compound ID | 8NgJPziNqst |
|---|---|
| InChI | InChI=1S/C16H17NO4/c1-4-21-14(18)9-13-11(3)15(19)17(16(13)20)12-7-5-10(2)6-8-12/h5-8H,4,9H2,1-3H3 |
| InChIKey | DUVVEQVVACATLH-UHFFFAOYSA-N |
| Mol Weight | 287.31 g/mol |
| Molecular Formula | C16H17NO4 |
| Exact Mass | 287.115758 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JJwXs1jgkkW |
|---|---|
| Name | 4-Ethoxycarbonylmethyl-3-methyl-1-para-tolyl-3-pyrroline-2,5-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 287.115758027 u |
| Formula | C16H17NO4 |
| InChI | InChI=1S/C16H17NO4/c1-4-21-14(18)9-13-11(3)15(19)17(16(13)20)12-7-5-10(2)6-8-12/h5-8H,4,9H2,1-3H3 |
| InChIKey | DUVVEQVVACATLH-UHFFFAOYSA-N |
| SMILES | C1(N(C(C(=C1C)CC(=O)OCC)=O)C1=CC=C(C=C1)C)=O |