| SpectraBase Spectrum ID |
9TYsBxPFoEg |
| Name |
(1R,6R,8S,10R,11R,13S)-2,5,7,7,14,14-Hexamethylpentacyclo[11.1.1.1(6,8).0(3,11).0(4,10)]hexadeca-2,4-diene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
296.250401030 u |
| Formula |
C22H32 |
| InChI |
InChI=1S/C22H32/c1-11-17-9-13(21(17,3)4)7-15-16-8-14-10-18(22(14,5)6)12(2)20(16)19(11)15/h13-18H,7-10H2,1-6H3/t13-,14-,15+,16+,17-,18-/m0/s1 |
| InChIKey |
KJPJVGJQBFBQAU-ARAZSQDJSA-N |
| SMILES |
[C@@]12(C(=C3C4=C([C@]5(C([C@@](C[C@@]4([C@]3(C[C@](C1(C)C)(C2)[H])[H])[H])(C5)[H])(C)C)[H])C)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.893969 |
![(1R,6R,8S,10R,11R,13S)-2,5,7,7,14,14-Hexamethylpentacyclo[11.1.1.1(6,8).0(3,11).0(4,10)]hexadeca-2,4-diene](/api/spectrum/9TYsBxPFoEg/structure.png?h=300&w=458 "(1R,6R,8S,10R,11R,13S)-2,5,7,7,14,14-Hexamethylpentacyclo[11.1.1.1(6,8).0(3,11).0(4,10)]hexadeca-2,4-diene")
