| SpectraBase Spectrum ID |
2BueHp4pfiN |
| Name |
Endo-,endo-tricyclo[2.2.0.0^2^,^6]hexane-3,5-dicarbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
130.053098201 u |
| Formula |
C8H6N2 |
| InChI |
InChI=1S/C8H6N2/c9-1-3-5-4(2-10)7-6(3)8(5)7/h3-8H/t3-,4+,5-,6+,7-,8+ |
| InChIKey |
RWQSWXAWQJCUCW-FLMNKLAKSA-N |
| Molecular Weight |
130.150 g/mol |
| SMILES |
C(#N)[C@@]1([C@]2([C@]3([C@]2([C@@]([C@@]13[H])(C#N)[H])[H])[H])[H])[H] |
| Spectrum/Structure Validation Score (Raman) |
0.986664 |
![Endo-,endo-tricyclo[2.2.0.0^2^,^6]hexane-3,5-dicarbonitrile](/api/spectrum/2BueHp4pfiN/structure.png?h=300&w=458 "Endo-,endo-tricyclo[2.2.0.0^2^,^6]hexane-3,5-dicarbonitrile")
