![2-Pentyl-1H-naphth[2,3-D]imidazole-4,9-dione](/api/spectrum/ErgFaEhV0FK/structure.png?h=300&w=458 "2-Pentyl-1H-naphth[2,3-D]imidazole-4,9-dione")
| SpectraBase Compound ID | 3W9QqVKzfmk |
|---|---|
| InChI | InChI=1S/C16H16N2O2/c1-2-3-4-9-12-17-13-14(18-12)16(20)11-8-6-5-7-10(11)15(13)19/h5-8H,2-4,9H2,1H3,(H,17,18) |
| InChIKey | XRUOHMNLJCNPOL-UHFFFAOYSA-N |
| Mol Weight | 268.32 g/mol |
| Molecular Formula | C16H16N2O2 |
| Exact Mass | 268.121178 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ErgFaEhV0FK |
|---|---|
| Name | 2-Pentyl-1H-naphth[2,3-D]imidazole-4,9-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.121177761 u |
| Formula | C16H16N2O2 |
| InChI | InChI=1S/C16H16N2O2/c1-2-3-4-9-12-17-13-14(18-12)16(20)11-8-6-5-7-10(11)15(13)19/h5-8H,2-4,9H2,1H3,(H,17,18) |
| InChIKey | XRUOHMNLJCNPOL-UHFFFAOYSA-N |
| SMILES | C(CC1=NC=2C(C3=C(C(C2N1)=O)C=CC=C3)=O)CCC |