| SpectraBase Compound ID | GZoWJ2uVQva |
|---|---|
| InChI | InChI=1S/C20H34/c1-7-15(2)9-11-17-16(3)10-12-18-19(4,5)13-8-14-20(17,18)6/h7,9,16-18H,1,8,10-14H2,2-6H3/b15-9-/t16-,17-,18?,20+/m0/s1 |
| InChIKey | CCUCKIVLXJSLHV-SGTKPZSMSA-N |
| Mol Weight | 274.5 g/mol |
| Molecular Formula | C20H34 |
| Exact Mass | 274.266051 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3PeU7RYrv9Q |
|---|---|
| Name | 8S-Labda-12Z,13-diene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.266051095 u |
| Formula | C20H34 |
| InChI | InChI=1S/C20H34/c1-7-15(2)9-11-17-16(3)10-12-18-19(4,5)13-8-14-20(17,18)6/h7,9,16-18H,1,8,10-14H2,2-6H3/b15-9-/t16-,17-,18?,20+/m0/s1 |
| InChIKey | CCUCKIVLXJSLHV-SGTKPZSMSA-N |
| Molecular Weight | 274.492 g/mol |
| SMILES | [C@@]12(C(C(C)(C)CCC2)CC[C@@]([C@@]1(C\C=C/(C=C)C)[H])(C)[H])C |