| SpectraBase Compound ID | KOUCLy9Hy0K |
|---|---|
| InChI | InChI=1S/C18H21NO4/c1-4-14-12(3)15(17(20)22-5-2)19-16(14)18(21)23-11-13-9-7-6-8-10-13/h6-10,19H,4-5,11H2,1-3H3 |
| InChIKey | OYBYLDLLONDFJJ-UHFFFAOYSA-N |
| Mol Weight | 315.37 g/mol |
| Molecular Formula | C18H21NO4 |
| Exact Mass | 315.147058 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9Ae6fHW7biV |
|---|---|
| Name | 1H-Pyrrole-2,5-dicarboxylic acid, 3-ethyl-4-methyl-, 5-ethyl 2-(phenylmethyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 315.147058156 u |
| Formula | C18H21NO4 |
| InChI | InChI=1S/C18H21NO4/c1-4-14-12(3)15(17(20)22-5-2)19-16(14)18(21)23-11-13-9-7-6-8-10-13/h6-10,19H,4-5,11H2,1-3H3 |
| InChIKey | OYBYLDLLONDFJJ-UHFFFAOYSA-N |
| SMILES | C(OCC1=CC=CC=C1)(=O)C1=C(CC)C(C)=C(N1)C(OCC)=O |