| SpectraBase Compound ID | 9yyteRZAfEx |
|---|---|
| InChI | InChI=1S/C16H15NO5/c1-10-13(15(19)21-2)12(8-18)17-14(10)16(20)22-9-11-6-4-3-5-7-11/h3-8,17H,9H2,1-2H3 |
| InChIKey | ZOIUZHLMOGVXJQ-UHFFFAOYSA-N |
| Mol Weight | 301.3 g/mol |
| Molecular Formula | C16H15NO5 |
| Exact Mass | 301.095023 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IQ2MRXPVHD9 |
|---|---|
| Name | 1H-Pyrrole-2,4-dicarboxylic acid, 5-formyl-3-methyl-, 4-methyl 2-(phenylmethyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.095022582 u |
| Formula | C16H15NO5 |
| InChI | InChI=1S/C16H15NO5/c1-10-13(15(19)21-2)12(8-18)17-14(10)16(20)22-9-11-6-4-3-5-7-11/h3-8,17H,9H2,1-2H3 |
| InChIKey | ZOIUZHLMOGVXJQ-UHFFFAOYSA-N |
| SMILES | C=1(C(=C(C(OCC2=CC=CC=C2)=O)NC1C=O)C)C(=O)OC |