SpectraBase Spectrum ID |
ifuLS37iho |
Name |
4(15)-Selinene-11,12-diol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
238.193280075 u |
Formula |
C15H26O2 |
InChI |
InChI=1S/C15H26O2/c1-11-5-4-7-14(2)8-6-12(9-13(11)14)15(3,17)10-16/h12-13,16-17H,1,4-10H2,2-3H3/t12-,13+,14-,15?/m1/s1 |
InChIKey |
FUUSVPZQXDAJBK-PEUVFPKISA-N |
Molecular Weight |
238.371 g/mol |
SMILES |
C(C(C)(O)[C@]1(C[C@]2([H])[C@@](CC1)(CCCC2=C)C)[H])O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.890187 |