![2-Benzo[d][1,3]dioxol-5-ylmethyl)-1-methyl-1H-imidazole](/api/spectrum/K8J6TTx5VUp/structure.png?h=300&w=458 "2-Benzo[d][1,3]dioxol-5-ylmethyl)-1-methyl-1H-imidazole")
| SpectraBase Compound ID | 5EmVCwXcFpy |
|---|---|
| InChI | InChI=1S/C12H12N2O2/c1-14-5-4-13-12(14)7-9-2-3-10-11(6-9)16-8-15-10/h2-6H,7-8H2,1H3 |
| InChIKey | OTDBUCGNTOMQLU-UHFFFAOYSA-N |
| Mol Weight | 216.24 g/mol |
| Molecular Formula | C12H12N2O2 |
| Exact Mass | 216.089878 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K8J6TTx5VUp |
|---|---|
| Name | 2-Benzo[D][1,3]dioxol-5-ylmethyl)-1-methyl-1H-imidazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.089877632 u |
| Formula | C12H12N2O2 |
| InChI | InChI=1S/C12H12N2O2/c1-14-5-4-13-12(14)7-9-2-3-10-11(6-9)16-8-15-10/h2-6H,7-8H2,1H3 |
| InChIKey | OTDBUCGNTOMQLU-UHFFFAOYSA-N |
| Molecular Weight | 216.240 g/mol |
| SMILES | C1=CN(C(CC2=CC=C3C(=C2)OCO3)=N1)C |