![1H-Imidazole, 4,5-dihydro-2-methyl-1-[6-(4-methyl-2,6,7-trioxabicyclo[2.2.2]oct-1-yl)hexyl]-](/api/spectrum/53ObrihYi2d/structure.png?h=300&w=458 "1H-Imidazole, 4,5-dihydro-2-methyl-1-[6-(4-methyl-2,6,7-trioxabicyclo[2.2.2]oct-1-yl)hexyl]-")
| SpectraBase Compound ID | 8TLhjGbpzKF |
|---|---|
| InChI | InChI=1S/C16H28N2O3/c1-14-17-8-10-18(14)9-6-4-3-5-7-16-19-11-15(2,12-20-16)13-21-16/h3-13H2,1-2H3 |
| InChIKey | MRJCLLTURWWHQD-UHFFFAOYSA-N |
| Mol Weight | 296.41 g/mol |
| Molecular Formula | C16H28N2O3 |
| Exact Mass | 296.209993 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 53ObrihYi2d |
|---|---|
| Name | 1H-Imidazole, 4,5-dihydro-2-methyl-1-[6-(4-methyl-2,6,7-trioxabicyclo[2.2.2]oct-1-yl)hexyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.209992767 u |
| Formula | C16H28N2O3 |
| InChI | InChI=1S/C16H28N2O3/c1-14-17-8-10-18(14)9-6-4-3-5-7-16-19-11-15(2,12-20-16)13-21-16/h3-13H2,1-2H3 |
| InChIKey | MRJCLLTURWWHQD-UHFFFAOYSA-N |
| SMILES | C12(OCC(CO2)(C)CO1)CCCCCCN1C(=NCC1)C |