| SpectraBase Compound ID | 1AEDkrWezrn |
|---|---|
| InChI | InChI=1S/C19H26O6/c1-12(2)7-8-23-18-9-16(10-24-14(4)20)17(11-25-15(5)21)19(22-6)13(18)3/h7,9H,8,10-11H2,1-6H3 |
| InChIKey | SNXYJJNATJPGBF-UHFFFAOYSA-N |
| Mol Weight | 350.41 g/mol |
| Molecular Formula | C19H26O6 |
| Exact Mass | 350.172939 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1NT2exDe1EP |
|---|---|
| Name | Zinniol, 2ac derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 350.172938551 u |
| Formula | C19H26O6 |
| InChI | InChI=1S/C19H26O6/c1-12(2)7-8-23-18-9-16(10-24-14(4)20)17(11-25-15(5)21)19(22-6)13(18)3/h7,9H,8,10-11H2,1-6H3 |
| InChIKey | SNXYJJNATJPGBF-UHFFFAOYSA-N |
| Molecular Weight | 350.411 g/mol |
| SMILES | C1(=C(C(=C(C(=C1)OCC=C(C)C)C)OC)COC(C)=O)COC(C)=O |