| SpectraBase Spectrum ID |
2DMa53J1zqJ |
| Name |
Pentaspiro[2.0.2.0.2.0.2.0.2.1]hexadecane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
214.172150708 u |
| Formula |
C16H22 |
| InChI |
InChI=1S/C16H22/c1-2-12(1)11-13(3-4-13)15(7-8-15)16(9-10-16)14(12)5-6-14/h1-11H2 |
| InChIKey |
OPCVNZAESYVFKO-UHFFFAOYSA-N |
| Molecular Weight |
214.352 g/mol |
| SMILES |
C12(C3(C4(CC4)CC4(C11CC1)CC4)CC3)CC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.856773 |
![Pentaspiro[2.0.2.0.2.0.2.0.2.1]hexadecane](/api/spectrum/2DMa53J1zqJ/structure.png?h=300&w=458 "Pentaspiro[2.0.2.0.2.0.2.0.2.1]hexadecane")
