| SpectraBase Compound ID | 4D7a6h7BmMs |
|---|---|
| InChI | InChI=1S/C20H34O2/c1-15(2)18-11-9-16(3)7-6-8-17(4)10-12-19(21)20(5,22)14-13-18/h7,10,13,15,19,21-22H,6,8-9,11-12,14H2,1-5H3/b16-7+,17-10+,18-13+ |
| InChIKey | GFPBWVUILKAAQD-ZJRJPKBJSA-N |
| Mol Weight | 306.5 g/mol |
| Molecular Formula | C20H34O2 |
| Exact Mass | 306.25588 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IaLEvCEsDRb |
|---|---|
| Name | (1S,2E,4S,5R,7E,11E)-Cembra-2,7,11-trien-4,5-diol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.255880333 u |
| Formula | C20H34O2 |
| InChI | InChI=1S/C20H34O2/c1-15(2)18-11-9-16(3)7-6-8-17(4)10-12-19(21)20(5,22)14-13-18/h7,10,13,15,19,21-22H,6,8-9,11-12,14H2,1-5H3/b16-7+,17-10+,18-13+ |
| InChIKey | GFPBWVUILKAAQD-ZJRJPKBJSA-N |
| SMILES | CC1(O)C\C=C\(C(C)C)CC\C(C)=C\CC\C(C)=C\CC1O |