| SpectraBase Spectrum ID |
5cfnkstTSSk |
| Name |
3,8-Dioxatricyclo[5.1.0.0(2,4)]octane, 1,6,6-trimethyl-7-(3-methyl-1,3-butadienyl)-, [1.alpha.,2.alpha.,4.alpha.,7.alpha.(E)]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
220.146329882 u |
| Formula |
C14H20O2 |
| InChI |
InChI=1S/C14H20O2/c1-9(2)6-7-14-12(3,4)8-10-11(15-10)13(14,5)16-14/h6-7,10-11H,1,8H2,2-5H3/b7-6+/t10-,11-,13-,14+/m0/s1 |
| InChIKey |
JVUJGJFNRCUSMI-HANSTVQASA-N |
| Molecular Weight |
220.312 g/mol |
| SMILES |
[C@@]12([C@](C(C)(C)C[C@]3([C@@]2(O3)[H])[H])(\C=C\C(=C)C)O1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95668 |
![3,8-Dioxatricyclo[5.1.0.0(2,4)]octane, 1,6,6-trimethyl-7-(3-methyl-1,3-butadienyl)-, [1.alpha.,2.alpha.,4.alpha.,7.alpha.(E)]-](/api/spectrum/5cfnkstTSSk/structure.png?h=300&w=458 "3,8-Dioxatricyclo[5.1.0.0(2,4)]octane, 1,6,6-trimethyl-7-(3-methyl-1,3-butadienyl)-, [1.alpha.,2.alpha.,4.alpha.,7.alpha.(E)]-")
