| SpectraBase Compound ID | 8y1pN3jj819 |
|---|---|
| InChI | InChI=1S/C15H15NO4/c1-9-12(14(17)18)10(2)16-13(9)15(19)20-8-11-6-4-3-5-7-11/h3-7,16H,8H2,1-2H3,(H,17,18) |
| InChIKey | UKIAVYVRZNDPNZ-UHFFFAOYSA-N |
| Mol Weight | 273.29 g/mol |
| Molecular Formula | C15H15NO4 |
| Exact Mass | 273.100108 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FbgtvP0fqXP |
|---|---|
| Name | Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, 2-benzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 273.100107963 u |
| Formula | C15H15NO4 |
| InChI | InChI=1S/C15H15NO4/c1-9-12(14(17)18)10(2)16-13(9)15(19)20-8-11-6-4-3-5-7-11/h3-7,16H,8H2,1-2H3,(H,17,18) |
| InChIKey | UKIAVYVRZNDPNZ-UHFFFAOYSA-N |
| Molecular Weight | 273.288 g/mol |
| SMILES | C=1(C(=C(C(OCC2=CC=CC=C2)=O)NC1C)C)C(=O)O |