| SpectraBase Spectrum ID |
91eSiV0pQ16 |
| Name |
1,6-Ethenobicyclo[2.2.1]heptano[A]bicyclo[2.2.1]heptano[G]octa-2,4-diene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
260.156500644 u |
| Formula |
C20H20 |
| InChI |
InChI=1S/C20H20/c1-2-8-20-10-9-19(7-1)15-5-3-13(11-15)17(19)18(20)14-4-6-16(20)12-14/h1-10,13-18H,11-12H2/b7-1-,8-2-/t13-,14-,15+,16+,17?,18?,19-,20+/m0/s1 |
| InChIKey |
BTAPDXLJJIAQSJ-DYOZXHHMSA-N |
| Molecular Weight |
260.380 g/mol |
| SMILES |
C12C3[C@@]4([C@]5(C[C@@]3(C=C5)[H])[H])\C=C/C=C\[C@@]2(C=C4)[C@]2(C[C@@]1(C=C2)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.911774 |
![1,6-Ethenobicyclo[2.2.1]heptano[A]bicyclo[2.2.1]heptano[G]octa-2,4-diene](/api/spectrum/91eSiV0pQ16/structure.png?h=300&w=458 "1,6-Ethenobicyclo[2.2.1]heptano[A]bicyclo[2.2.1]heptano[G]octa-2,4-diene")
