| SpectraBase Compound ID | 9FFRGOC2nuJ |
|---|---|
| InChI | InChI=1S/C24H28O4/c1-23(2,3)21(25)27-19-14-18(13-12-17-10-8-7-9-11-17)15-20(16-19)28-22(26)24(4,5)6/h7-16H,1-6H3/b13-12+ |
| InChIKey | SUXSRADOKDXEKE-OUKQBFOZSA-N |
| Mol Weight | 380.48 g/mol |
| Molecular Formula | C24H28O4 |
| Exact Mass | 380.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4rgLHkmyNuA |
|---|---|
| Name | Pinosylvin, bis(trimethylacetate) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 380.198759378 u |
| Formula | C24H28O4 |
| InChI | InChI=1S/C24H28O4/c1-23(2,3)21(25)27-19-14-18(13-12-17-10-8-7-9-11-17)15-20(16-19)28-22(26)24(4,5)6/h7-16H,1-6H3/b13-12+ |
| InChIKey | SUXSRADOKDXEKE-OUKQBFOZSA-N |
| Molecular Weight | 380.484 g/mol |
| SMILES | C1(\C=C\C2=CC(OC(C(C)(C)C)=O)=CC(=C2)OC(C(C)(C)C)=O)=CC=CC=C1 |