| SpectraBase Spectrum ID |
A6vHGrPHN2a |
| Name |
20-epi-Inhoffen-lythgoe diol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
212.177630011 u |
| Formula |
C13H24O2 |
| InChI |
InChI=1S/C13H24O2/c1-9-3-5-13(10(2)8-14)6-4-11(15)7-12(9)13/h9-12,14-15H,3-8H2,1-2H3/t9-,10?,11?,12?,13?/m1/s1 |
| InChIKey |
UDESMGKMXRTGBC-HIVKSXORSA-N |
| Molecular Weight |
212.333 g/mol |
| SMILES |
C12(C(CC(CC2)O)[C@](C)(CC1)[H])C(CO)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.930338 |
