| SpectraBase Spectrum ID |
AVtnm5SnQhp |
| Name |
1-Chloropentacyclo[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 |
180.070578119 u |
| Formula |
C11H13Cl |
| InChI |
InChI=1S/C11H13Cl/c12-11-3-7-4-2-8(11)9-5(4)1-6(7)10(9)11/h4-10H,1-3H2 |
| InChIKey |
JEDAVZFBZOQXQV-UHFFFAOYSA-N |
| Molecular Weight |
180.678 g/mol |
| SMILES |
C12(C3C4CC5C3C2CC5C4C1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.887466 |
![1-Chloropentacyclo[5.4.0.0(2,6).0(3,10).0(5,9)]undecane](/api/spectrum/AVtnm5SnQhp/structure.png?h=300&w=458 "1-Chloropentacyclo[5.4.0.0(2,6).0(3,10).0(5,9)]undecane")
