| SpectraBase Compound ID | DAkh36in1V1 |
|---|---|
| InChI | InChI=1S/C18H18N2O4/c1-11(21)20-14-8-6-5-7-13(14)19-18(20)12-9-15(22-2)17(24-4)16(10-12)23-3/h5-10H,1-4H3 |
| InChIKey | LJEFXOVQWGFYFD-UHFFFAOYSA-N |
| Mol Weight | 326.35 g/mol |
| Molecular Formula | C18H18N2O4 |
| Exact Mass | 326.126657 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LbQHUF4NVSd |
|---|---|
| Name | 2-(3,4,5-Trimethoxyphenyl)-1H-benzimidazole, acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.126657064 u |
| Formula | C18H18N2O4 |
| InChI | InChI=1S/C18H18N2O4/c1-11(21)20-14-8-6-5-7-13(14)19-18(20)12-9-15(22-2)17(24-4)16(10-12)23-3/h5-10H,1-4H3 |
| InChIKey | LJEFXOVQWGFYFD-UHFFFAOYSA-N |
| Molecular Weight | 326.352 g/mol |
| SMILES | C1=2N(C(=NC2C=CC=C1)C1=CC(=C(C(=C1)OC)OC)OC)C(=O)C |