| SpectraBase Spectrum ID |
Lj79CbKnCxT |
| Name |
14,15,16-Trinor-labdan-13,17-dial |
| Comments |
Computed using SmartSpectra Model v1.42 |
| 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 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.816157 |
