| SpectraBase Spectrum ID |
C3it1Vs9dtg |
| Name |
Pentacyclo[5.5.0.0(4,11).0(5,9).0(8,12)]dodecane-3-spiro-8'-pentacyclo[5.4.0.0(2,6).0(3,10).0(5,9)]undecane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
290.203450837 u |
| Formula |
C22H26 |
| InChI |
InChI=1S/C22H26/c1-6-7-2-11-15(6)14-5-22(19(11)16(7)10(1)14)20-12-3-8-9-4-13(17(8)20)21(22)18(9)12/h6-21H,1-5H2/t6-,7-,8-,9-,10-,11+,12+,13+,14-,15-,16-,17-,18-,19-,20-,21-/m1/s1 |
| InChIKey |
WZMAFWCSLNNGPQ-FTTOOCKSSA-N |
| SMILES |
[C@@]12([C@]3([C@]4([C@]5([C@@](C2)([C@]2([C@@]3(C[C@@]4([C@]2(C5)[H])[H])[H])[H])[H])[H])[H])[H])[C@@]2([C@]3(C[C@]4([C@@]2([C@]2([C@@]1([C@@]3([C@@]4(C2)[H])[H])[H])[H])[H])[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.863694 |
![Pentacyclo[5.5.0.0(4,11).0(5,9).0(8,12)]dodecane-3-spiro-8'-pentacyclo[5.4.0.0(2,6).0(3,10).0(5,9)]undecane](/api/spectrum/C3it1Vs9dtg/structure.png?h=300&w=458 "Pentacyclo[5.5.0.0(4,11).0(5,9).0(8,12)]dodecane-3-spiro-8'-pentacyclo[5.4.0.0(2,6).0(3,10).0(5,9)]undecane")
