| SpectraBase Compound ID | Ee2EDvbvNr1 |
|---|---|
| InChI | InChI=1S/C16H17NO4/c1-11-13(9-14(17(11)2)16(19)20-3)15(18)21-10-12-7-5-4-6-8-12/h4-9H,10H2,1-3H3 |
| InChIKey | GCKWKKUIUAAPOU-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 | KZZ8iumGk2J |
|---|---|
| Name | 4-Benzyl 2-methyl 1,5-dimethyl-1H-pyrrole-2,4-dicarboxylate |
| 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/c1-11-13(9-14(17(11)2)16(19)20-3)15(18)21-10-12-7-5-4-6-8-12/h4-9H,10H2,1-3H3 |
| InChIKey | GCKWKKUIUAAPOU-UHFFFAOYSA-N |
| SMILES | C1(=C(N(C)C(=C1)C(=O)OC)C)C(OCC=1C=CC=CC1)=O |