| SpectraBase Compound ID | 1aPAa6Z5mev |
|---|---|
| InChI | InChI=1S/C18H22N4O2/c1-12-7-5-6-10-14(12)22-18(24)16-15(19-11-20-16)17(23)21-13-8-3-2-4-9-13/h5-7,10-11,13H,2-4,8-9H2,1H3,(H,19,20)(H,21,23)(H,22,24) |
| InChIKey | GRNBTWFMGWWLGY-UHFFFAOYSA-N |
| Mol Weight | 326.4 g/mol |
| Molecular Formula | C18H22N4O2 |
| Exact Mass | 326.174276 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5nw5gh8mk4y |
|---|---|
| Name | 1H-Imidazole-4,5-dicarboxylic acid, 5-cyclohexylamide 4-o-tolylamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.174275962 u |
| Formula | C18H22N4O2 |
| InChI | InChI=1S/C18H22N4O2/c1-12-7-5-6-10-14(12)22-18(24)16-15(19-11-20-16)17(23)21-13-8-3-2-4-9-13/h5-7,10-11,13H,2-4,8-9H2,1H3,(H,19,20)(H,21,23)(H,22,24) |
| InChIKey | GRNBTWFMGWWLGY-UHFFFAOYSA-N |
| Molecular Weight | 326.400 g/mol |
| SMILES | C=1NC(=C(N1)C(NC1=CC=CC=C1C)=O)C(NC1CCCCC1)=O |