SpectraBase Spectrum ID |
EL8Cbo9HyOG |
Name |
4,6-Dimethyl-3,5,7-trioxatetracyclo[7.2.1.0(4,11).0(6,10)]dodecane |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
196.109944372 u |
Formula |
C11H16O3 |
InChI |
InChI=1S/C11H16O3/c1-10-8-6(4-12-10)3-7-5-13-11(2,14-10)9(7)8/h6-9H,3-5H2,1-2H3 |
InChIKey |
NLSLUGLCMCNBJZ-UHFFFAOYSA-N |
Molecular Weight |
196.246 g/mol |
SMILES |
C12(OC3(OCC4C3C2C(C4)CO1)C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.986145 |