| SpectraBase Compound ID | 3CRWWuwc7uy |
|---|---|
| InChI | InChI=1S/C20H19NO4/c1-21-9-5-8-13(21)18-14(22)11-17-19(20(18)24)15(23)10-16(25-17)12-6-3-2-4-7-12/h2-4,6-7,10-11,13,22,24H,5,8-9H2,1H3 |
| InChIKey | OTHGANFGYSWHJH-UHFFFAOYSA-N |
| Mol Weight | 337.38 g/mol |
| Molecular Formula | C20H19NO4 |
| Exact Mass | 337.131408 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | QZjmnE2rUq |
|---|---|
| Name | Isoficine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 337.131408092 u |
| Formula | C20H19NO4 |
| InChI | InChI=1S/C20H19NO4/c1-21-9-5-8-13(21)18-14(22)11-17-19(20(18)24)15(23)10-16(25-17)12-6-3-2-4-7-12/h2-4,6-7,10-11,13,22,24H,5,8-9H2,1H3 |
| InChIKey | OTHGANFGYSWHJH-UHFFFAOYSA-N |
| Molecular Weight | 337.375 g/mol |
| SMILES | C1(=C(C=2C(C=C(OC2C=C1O)C=1C=CC=CC1)=O)O)C1N(CCC1)C |