| SpectraBase Compound ID | 2xBrP82x64P |
|---|---|
| InChI | InChI=1S/C20H24O3/c1-14(2)6-5-7-15(3)8-9-16-12-17-10-11-20(21)23-19(17)13-18(16)22-4/h6,8,10-13H,5,7,9H2,1-4H3/b15-8+ |
| InChIKey | NPAJJQFVWPRYHR-OVCLIPMQSA-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 | 7MpT5AXNUJL |
|---|---|
| Name | Ostruthin, me derivative |
| 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/c1-14(2)6-5-7-15(3)8-9-16-12-17-10-11-20(21)23-19(17)13-18(16)22-4/h6,8,10-13H,5,7,9H2,1-4H3/b15-8+ |
| InChIKey | NPAJJQFVWPRYHR-OVCLIPMQSA-N |
| Molecular Weight | 312.409 g/mol |
| SMILES | COC=1C(C\C=C\(CCC=C(C)C)C)=CC2=C(OC(C=C2)=O)C1 |