| SpectraBase Spectrum ID |
EWIKM5EMWjR |
| Name |
(3R*,3ar*)-Sedanolide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
194.130679818 u |
| Formula |
C12H18O2 |
| InChI |
InChI=1S/C12H18O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h7,9,11H,2-6,8H2,1H3/t9-,11?/m1/s1 |
| InChIKey |
UPJFTVFLSIQQAV-BFHBGLAWSA-N |
| Molecular Weight |
194.274 g/mol |
| SMILES |
C1(C=2[C@](CCCC2)([H])C(O1)CCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.849636 |
