| SpectraBase Spectrum ID |
JN28gj3B2Eh |
| Name |
3,5,5,9,9,11,11,14-Octafluoro-4,10,15-trioxapentacyclo-[5.5.2.1.(3,13).0(2,6).0(8,12)]-pentadecane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
352.034569419 u |
| Formula |
C12H8F8O3 |
| InChI |
InChI=1S/C12H8F8O3/c13-7-1-3-5(10(16,17)22-9(3,14)15)2-6-4(1)11(18,19)23-12(6,20)21-8(2)7/h1-8H/t1-,2+,3+,4-,5-,6+,7-,8-,12+/m0/s1 |
| InChIKey |
DXZLJHVOIYDDRX-MQIBJPGVSA-N |
| Molecular Weight |
352.180 g/mol |
| SMILES |
[C@@]12(F)O[C@@]3([C@]([C@@]4([C@](C(O2)(F)F)([C@]1([C@]3([C@]1([C@@]4(C(F)(F)OC1(F)F)[H])[H])[H])[H])[H])[H])(F)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.9302 |
![3,5,5,9,9,11,11,14-Octafluoro-4,10,15-trioxapentacyclo-[5.5.2.1.(3,13).0(2,6).0(8,12)]-pentadecane](/api/spectrum/JN28gj3B2Eh/structure.png?h=300&w=458 "3,5,5,9,9,11,11,14-Octafluoro-4,10,15-trioxapentacyclo-[5.5.2.1.(3,13).0(2,6).0(8,12)]-pentadecane")
