| SpectraBase Spectrum ID |
8VzD3l4EUm7 |
| Name |
(5E)-6-Tert-butyl-5-ethenyliden]-7-methyl-5H-2,3,4A,7A-tetrahydrocyclopenta-1,4-dioxin |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
222.161979946 u |
| Formula |
C14H22O2 |
| InChI |
InChI=1S/C14H22O2/c1-6-10-11(14(3,4)5)9(2)12-13(10)16-8-7-15-12/h6,12-13H,7-8H2,1-5H3/b10-6+/t12-,13+/m0/s1 |
| InChIKey |
XGQHFYZUTPPDKJ-SRUFYXDBSA-N |
| Molecular Weight |
222.328 g/mol |
| SMILES |
C=1(\C([C@]2(OCCO[C@]2(C1C)[H])[H])=C/C)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.910597 |
![(5E)-6-tert-Butyl-5-ethenyliden]-7-methyl-5H-2,3,4a,7a-tetrahydrocyclopenta-1,4-dioxin](/api/spectrum/8VzD3l4EUm7/structure.png?h=300&w=458 "(5E)-6-tert-Butyl-5-ethenyliden]-7-methyl-5H-2,3,4a,7a-tetrahydrocyclopenta-1,4-dioxin")
