| SpectraBase Spectrum ID |
BtLhD9UGCG2 |
| Name |
(2R,3R)-3-Ethylhexane-1,2,3-triol (7D) and (2R,3S)-3-ethylhexane-1,2,3-triol (8D) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
162.125594437 u |
| Formula |
C8H18O3 |
| InChI |
InChI=1S/C8H18O3/c1-3-5-8(11,4-2)7(10)6-9/h7,9-11H,3-6H2,1-2H3/t7-,8?/m1/s1 |
| InChIKey |
UYSKBHFOSACVBY-GVHYBUMESA-N |
| Molecular Weight |
162.229 g/mol |
| SMILES |
C([C@@](O)(C(CC)(O)CCC)[H])O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.975133 |
