| SpectraBase Spectrum ID |
5vFygnyZlxX |
| Name |
(2sr,3sr,6rs,7sr)-8-Methoxy-3,7-dimethyloctane-1,2,6-triol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
220.167459249 u |
| Formula |
C11H24O4 |
| InChI |
InChI=1S/C11H24O4/c1-8(11(14)6-12)4-5-10(13)9(2)7-15-3/h8-14H,4-7H2,1-3H3 |
| InChIKey |
JCBWDJHXTJORLF-UHFFFAOYSA-N |
| Molecular Weight |
220.309 g/mol |
| SMILES |
C(C(CCC(C(O)CO)C)O)(COC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963587 |
