| SpectraBase Compound ID | J56jQgXJT6b |
|---|---|
| InChI | InChI=1S/C20H18N2O4/c1-22(2)9-13-6-18-19(25-10-24-18)7-14(13)16-5-12-3-4-17-20(26-11-23-17)15(12)8-21-16/h3-8H,9-11H2,1-2H3 |
| InChIKey | XFJFGQRZFBYWBC-UHFFFAOYSA-N |
| Mol Weight | 350.37 g/mol |
| Molecular Formula | C20H18N2O4 |
| Exact Mass | 350.126657 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 23qQ3c7I7lJ |
|---|---|
| Name | Coridamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 350.126657064 u |
| Formula | C20H18N2O4 |
| InChI | InChI=1S/C20H18N2O4/c1-22(2)9-13-6-18-19(25-10-24-18)7-14(13)16-5-12-3-4-17-20(26-11-23-17)15(12)8-21-16/h3-8H,9-11H2,1-2H3 |
| InChIKey | XFJFGQRZFBYWBC-UHFFFAOYSA-N |
| Molecular Weight | 350.374 g/mol |
| SMILES | C1(=C(C=C2C(=C1)OCO2)CN(C)C)C=1N=CC=2C(C1)=CC=C1OCOC21 |