![N~1~-[3-(1H-imidazol-1-yl)propyl]-N~2~-(2-methylphenyl)ethanediamide](/api/spectrum/1A3tVxLdFdX/structure.png?h=300&w=458 "N~1~-[3-(1H-imidazol-1-yl)propyl]-N~2~-(2-methylphenyl)ethanediamide")
| SpectraBase Compound ID | DHM2tLBvFrn |
|---|---|
| InChI | InChI=1S/C15H18N4O2/c1-12-5-2-3-6-13(12)18-15(21)14(20)17-7-4-9-19-10-8-16-11-19/h2-3,5-6,8,10-11H,4,7,9H2,1H3,(H,17,20)(H,18,21) |
| InChIKey | MASOBZSQBFBEBO-UHFFFAOYSA-N |
| Mol Weight | 286.33 g/mol |
| Molecular Formula | C15H18N4O2 |
| Exact Mass | 286.142976 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1A3tVxLdFdX |
|---|---|
| Name | N~1~-[3-(1H-Imidazol-1-yl)propyl]-N~2~-(2-methylphenyl)ethanediamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.142975834 u |
| Formula | C15H18N4O2 |
| InChI | InChI=1S/C15H18N4O2/c1-12-5-2-3-6-13(12)18-15(21)14(20)17-7-4-9-19-10-8-16-11-19/h2-3,5-6,8,10-11H,4,7,9H2,1H3,(H,17,20)(H,18,21) |
| InChIKey | MASOBZSQBFBEBO-UHFFFAOYSA-N |
| Molecular Weight | 286.335 g/mol |
| SMILES | N(C(C(=O)NCCCN1C=NC=C1)=O)C=1C(C)=CC=CC1 |