| SpectraBase Compound ID | CRFXrH7485t |
|---|---|
| InChI | InChI=1S/C20H24O3/c1-11(2)12-4-6-16-14(18(12)21)5-7-17-15-10-23-19(22)13(15)8-9-20(16,17)3/h4,6,11,17,21H,5,7-10H2,1-3H3 |
| InChIKey | KPXIBWGPZSPABK-UHFFFAOYSA-N |
| Mol Weight | 312.41 g/mol |
| Molecular Formula | C20H24O3 |
| Exact Mass | 312.172545 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L6AviTD8SHk |
|---|---|
| Name | Triptophenolide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.172544630 u |
| Formula | C20H24O3 |
| InChI | InChI=1S/C20H24O3/c1-11(2)12-4-6-16-14(18(12)21)5-7-17-15-10-23-19(22)13(15)8-9-20(16,17)3/h4,6,11,17,21H,5,7-10H2,1-3H3 |
| InChIKey | KPXIBWGPZSPABK-UHFFFAOYSA-N |
| Molecular Weight | 312.409 g/mol |
| SMILES | CC12C(C3=C(CC2)C(=O)OC3)CCC2=C1C=CC(=C2O)C(C)C |