| SpectraBase Spectrum ID |
CJjYRnod4lb |
| Name |
cis-1,4-Cyclohexanediamine, N,N'-bis(heptafluorobutyryl) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
506.067521914 u |
| Formula |
C14H12F14N2O2 |
| InChI |
InChI=1S/C14H12F14N2O2/c15-9(16,11(19,20)13(23,24)25)7(31)29-5-1-2-6(4-3-5)30-8(32)10(17,18)12(21,22)14(26,27)28/h5-6H,1-4H2,(H,29,31)(H,30,32) |
| InChIKey |
FICTXIHOXODJKA-UHFFFAOYSA-N |
| Molecular Weight |
506.240 g/mol |
| SMILES |
C1(CCC(CC1)NC(C(C(C(F)(F)F)(F)F)(F)F)=O)NC(C(C(C(F)(F)F)(F)F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.822311 |
