| SpectraBase Spectrum ID |
1eNF7FPpxwA |
| Name |
(2S,3R,4S)-2,4-Dimethylhexane-1,3-diol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
146.130679818 u |
| Formula |
C8H18O2 |
| InChI |
InChI=1S/C8H18O2/c1-4-6(2)8(10)7(3)5-9/h6-10H,4-5H2,1-3H3/t6-,7-,8+/m0/s1 |
| InChIKey |
LHFXJWUNNQVLMQ-BIIVOSGPSA-N |
| Molecular Weight |
146.230 g/mol |
| SMILES |
[C@@]([C@](CO)(C)[H])([C@](CC)(C)[H])(O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.822182 |
