| SpectraBase Compound ID | KNDf67KNrHJ |
|---|---|
| InChI | InChI=1S/C20H20O3/c1-4-5-15-6-11-19-18(12-15)13(2)20(23-19)16-7-9-17(10-8-16)22-14(3)21/h4-13,20H,1-3H3/b5-4+/t13-,20-/m1/s1 |
| InChIKey | IWWPLFXSDFXJEO-DGSSKOAPSA-N |
| Mol Weight | 308.38 g/mol |
| Molecular Formula | C20H20O3 |
| Exact Mass | 308.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4GKGaDGRlm9 |
|---|---|
| Name | Conocarpan, ac derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.141244501 u |
| Formula | C20H20O3 |
| InChI | InChI=1S/C20H20O3/c1-4-5-15-6-11-19-18(12-15)13(2)20(23-19)16-7-9-17(10-8-16)22-14(3)21/h4-13,20H,1-3H3/b5-4+/t13-,20-/m1/s1 |
| InChIKey | IWWPLFXSDFXJEO-DGSSKOAPSA-N |
| Molecular Weight | 308.377 g/mol |
| SMILES | C1(OC(=O)C)=CC=C([C@]2([C@](C)(C=3C(=CC=C(\C=C\C)C3)O2)[H])[H])C=C1 |