| SpectraBase Spectrum ID |
9WPvrrjtF4I |
| Name |
(E,E)- 2,8-Dimethyl-1,7-dioxaspiro[5.6]dodecane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
198.161979946 u |
| Formula |
C12H22O2 |
| InChI |
InChI=1S/C12H22O2/c1-10-6-3-4-8-12(13-10)9-5-7-11(2)14-12/h10-11H,3-9H2,1-2H3 |
| InChIKey |
MXLKCNCHOMNYTA-UHFFFAOYSA-N |
| Molecular Weight |
198.306 g/mol |
| SMILES |
C12(OC(C)CCC2)OC(C)CCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.936787 |