![[8]-Paradyl monoacetate](/api/spectrum/21mcSSTxIwV/structure.png?h=300&w=458 "[8]-Paradyl monoacetate")
| SpectraBase Compound ID | 2Rox28Nv9eL |
|---|---|
| InChI | InChI=1S/C21H32O4/c1-4-5-6-7-8-9-10-11-19(23)14-12-18-13-15-20(25-17(2)22)21(16-18)24-3/h13,15-16H,4-12,14H2,1-3H3 |
| InChIKey | JYCJDSPNULQUKV-UHFFFAOYSA-N |
| Mol Weight | 348.5 g/mol |
| Molecular Formula | C21H32O4 |
| Exact Mass | 348.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 21mcSSTxIwV |
|---|---|
| Name | [8]-Paradyl monoacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.230059506 u |
| Formula | C21H32O4 |
| InChI | InChI=1S/C21H32O4/c1-4-5-6-7-8-9-10-11-19(23)14-12-18-13-15-20(25-17(2)22)21(16-18)24-3/h13,15-16H,4-12,14H2,1-3H3 |
| InChIKey | JYCJDSPNULQUKV-UHFFFAOYSA-N |
| Molecular Weight | 348.483 g/mol |
| SMILES | C(CC(CCCCCCCCC)=O)C1=CC(=C(C=C1)OC(=O)C)OC |