| SpectraBase Spectrum ID |
GVYcQUWVrtA |
| Name |
13,14,15,16-Tetranor-8(17)-labdene-7.alpha.,12-diol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.208930140 u |
| Formula |
C16H28O2 |
| InChI |
InChI=1S/C16H28O2/c1-11-12(6-9-17)16(4)8-5-7-15(2,3)14(16)10-13(11)18/h12-14,17-18H,1,5-10H2,2-4H3/t12-,13+,14?,16+/m0/s1 |
| InChIKey |
SEBGLPWJOCENAD-RJZWRMDVSA-N |
| Molecular Weight |
252.398 g/mol |
| SMILES |
[C@]12(C(C[C@](C([C@@]2(CCO)[H])=C)(O)[H])C(C)(C)CCC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.914563 |
