| SpectraBase Compound ID | KKzSAke6Ntc |
|---|---|
| InChI | InChI=1S/C18H21NO4/c1-4-14-12(3)15(19-16(14)18(21)22-5-2)17(20)23-11-13-9-7-6-8-10-13/h6-10,19H,4-5,11H2,1-3H3 |
| InChIKey | ACIHICHTZKRCGJ-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 | GIbAT8mYbZ5 |
|---|---|
| Name | 2-Ethoxycarbonyl-3-ethyl-4-methyl-5-benzyloxycarbonyl-pyrrole |
| 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(19-16(14)18(21)22-5-2)17(20)23-11-13-9-7-6-8-10-13/h6-10,19H,4-5,11H2,1-3H3 |
| InChIKey | ACIHICHTZKRCGJ-UHFFFAOYSA-N |
| SMILES | C=1(NC(=C(C1CC)C)C(=O)OCC1=CC=CC=C1)C(=O)OCC |