| SpectraBase Compound ID | 29B1fG8OEm2 |
|---|---|
| InChI | InChI=1S/C17H28O2/c1-16(2)9-5-10-17(3)14(6-4-11-18)13(12-19)7-8-15(16)17/h11-15H,4-10H2,1-3H3/t13-,14+,15?,17-/m1/s1 |
| InChIKey | SKCLIYHJIATTBY-KJFZJZGVSA-N |
| Mol Weight | 264.41 g/mol |
| Molecular Formula | C17H28O2 |
| Exact Mass | 264.20893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L34HfowUCa |
|---|---|
| Name | 14,15,16-Trinor-labdan-13,17-dial |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.208930140 u |
| Formula | C17H28O2 |
| InChI | InChI=1S/C17H28O2/c1-16(2)9-5-10-17(3)14(6-4-11-18)13(12-19)7-8-15(16)17/h11-15H,4-10H2,1-3H3/t13-,14+,15?,17-/m1/s1 |
| InChIKey | SKCLIYHJIATTBY-KJFZJZGVSA-N |
| Molecular Weight | 264.409 g/mol |
| SMILES | [C@@]12(C(C(C)(C)CCC2)CC[C@@]([C@@]1(CCC=O)[H])(C=O)[H])C |