| SpectraBase Compound ID | 6rw3c7UtKgb |
|---|---|
| InChI | InChI=1S/C17H21NO4/c1-17(21-4,10-19-2)14-9-12-15(20-3)11-7-5-6-8-13(11)18-16(12)22-14/h5-8,14H,9-10H2,1-4H3 |
| InChIKey | NZTRVICGKFQEFD-UHFFFAOYSA-N |
| Mol Weight | 303.36 g/mol |
| Molecular Formula | C17H21NO4 |
| Exact Mass | 303.147058 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4chiPAn2l92 |
|---|---|
| Name | Dubinidine, dimethyl ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 303.147058156 u |
| Formula | C17H21NO4 |
| InChI | InChI=1S/C17H21NO4/c1-17(21-4,10-19-2)14-9-12-15(20-3)11-7-5-6-8-13(11)18-16(12)22-14/h5-8,14H,9-10H2,1-4H3 |
| InChIKey | NZTRVICGKFQEFD-UHFFFAOYSA-N |
| SMILES | COC1=C2C(=NC=3OC(C(OC)(COC)C)CC13)C=CC=C2 |