| SpectraBase Compound ID | 4HxeO9gisvb |
|---|---|
| InChI | InChI=1S/C14H14N2O4/c1-19-13(17)11-12(14(18)20-2)16(9-15-11)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3 |
| InChIKey | AQLGPELKQBCWGJ-UHFFFAOYSA-N |
| Mol Weight | 274.28 g/mol |
| Molecular Formula | C14H14N2O4 |
| Exact Mass | 274.095357 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Cu1HLzxBmS2 |
|---|---|
| Name | 1H-Imidazole-4,5-dicarboxylic acid, 1-benzyl-, dimethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.095356935 u |
| Formula | C14H14N2O4 |
| InChI | InChI=1S/C14H14N2O4/c1-19-13(17)11-12(14(18)20-2)16(9-15-11)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3 |
| InChIKey | AQLGPELKQBCWGJ-UHFFFAOYSA-N |
| SMILES | C=1(N(C=NC1C(OC)=O)CC1=CC=CC=C1)C(OC)=O |