| SpectraBase Compound ID | 8NPuxGH0Ec6 |
|---|---|
| InChI | InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1 |
| InChIKey | XYHOBCMEDLZUMP-UHFFFAOYSA-N |
| Mol Weight | 320.32 g/mol |
| Molecular Formula | C19H14NO4 |
| Exact Mass | 320.092283 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8nhxIViJBag |
|---|---|
| Name | Coptisine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.092282931 u |
| Formula | C19H14NO4 |
| InChI | InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1 |
| InChIKey | XYHOBCMEDLZUMP-UHFFFAOYSA-N |
| Molecular Weight | 320.324 g/mol |
| SMILES | C12=[N+](CCC=3C=C4OCOC4=CC23)C=C2C(=C1)C=CC1=C2OCO1 |