SpectraBase Spectrum ID |
Jolg0eeBMEk |
Name |
(2S,4S)-4,8-Dimethylnon-7-ene-1,2-diol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
186.161979946 u |
Formula |
C11H22O2 |
InChI |
InChI=1S/C11H22O2/c1-9(2)5-4-6-10(3)7-11(13)8-12/h5,10-13H,4,6-8H2,1-3H3/t10-,11-/m0/s1 |
InChIKey |
BYGQMRBQFCTJJG-QWRGUYRKSA-N |
Molecular Weight |
186.295 g/mol |
SMILES |
C(=CCC[C@@](C[C@](O)(CO)[H])(C)[H])(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949476 |