![N~1~-[3-(1H-imidazol-1-yl)propyl]-N~2~-phenylethanediamide](/api/spectrum/KK8U2LzNBqB/structure.png?h=300&w=458 "N~1~-[3-(1H-imidazol-1-yl)propyl]-N~2~-phenylethanediamide")
| SpectraBase Compound ID | 9P2bI0OvEZM |
|---|---|
| InChI | InChI=1S/C14H16N4O2/c19-13(14(20)17-12-5-2-1-3-6-12)16-7-4-9-18-10-8-15-11-18/h1-3,5-6,8,10-11H,4,7,9H2,(H,16,19)(H,17,20) |
| InChIKey | SXUOVYKRAILNRY-UHFFFAOYSA-N |
| Mol Weight | 272.31 g/mol |
| Molecular Formula | C14H16N4O2 |
| Exact Mass | 272.127326 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KK8U2LzNBqB |
|---|---|
| Name | N~1~-[3-(1H-Imidazol-1-yl)propyl]-N~2~-phenylethanediamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.127325769 u |
| Formula | C14H16N4O2 |
| InChI | InChI=1S/C14H16N4O2/c19-13(14(20)17-12-5-2-1-3-6-12)16-7-4-9-18-10-8-15-11-18/h1-3,5-6,8,10-11H,4,7,9H2,(H,16,19)(H,17,20) |
| InChIKey | SXUOVYKRAILNRY-UHFFFAOYSA-N |
| Molecular Weight | 272.308 g/mol |
| SMILES | N(C(C(NC=1C=CC=CC1)=O)=O)CCCN1C=NC=C1 |