SpectraBase Spectrum ID |
5PmuBjwlekj |
Name |
(1S,16S)-15-Oxabicyclo[14.3.0]nonadecane-3,14-dione |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
294.219494823 u |
Formula |
C18H30O3 |
InChI |
InChI=1S/C18H30O3/c19-16-11-7-5-3-1-2-4-6-8-13-18(20)21-17-12-9-10-15(17)14-16/h15,17H,1-14H2/t15-,17-/m0/s1 |
InChIKey |
DWIYFUILQUWJCH-RDJZCZTQSA-N |
SMILES |
C1(O[C@@]2([C@](CC(CCCCCCCCCC1)=O)(CCC2)[H])[H])=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965967 |