| SpectraBase Spectrum ID |
KsawMvSY4V9 |
| Name |
2-Dodecen-6-one, 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-, [S-(Z)]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
282.219494823 u |
| Formula |
C17H30O3 |
| InChI |
InChI=1S/C17H30O3/c1-4-5-6-8-11-15(18)12-9-7-10-13-16-14-19-17(2,3)20-16/h7,10,16H,4-6,8-9,11-14H2,1-3H3/b10-7-/t16-/m0/s1 |
| InChIKey |
ZFHQKCQSPTYPIH-BJIFSAINSA-N |
| SMILES |
C1(O[C@@](C\C=C/CCC(=O)CCCCCC)(CO1)[H])(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.942917 |
![2-Dodecen-6-one, 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-, [S-(Z)]-](/api/spectrum/KsawMvSY4V9/structure.png?h=300&w=458 "2-Dodecen-6-one, 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-, [S-(Z)]-")
