| SpectraBase Spectrum ID |
7hG2hltQfWa |
| Name |
alpha,alpha'-di-Tert-butyl-alpha,alpha'-dicyano-2,3,5,6-tetrafluoro-1,4-benzenediacetonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
390.146759248 u |
| Formula |
C20H18F4N4 |
| InChI |
InChI=1S/C20H18F4N4/c1-17(2,3)19(7-25,8-26)11-13(21)15(23)12(16(24)14(11)22)20(9-27,10-28)18(4,5)6/h1-6H3 |
| InChIKey |
XHRGWBCRHKHPDP-UHFFFAOYSA-N |
| Molecular Weight |
390.386 g/mol |
| SMILES |
C1(C(C#N)(C#N)C(C)(C)C)=C(C(F)=C(C(=C1F)F)C(C#N)(C#N)C(C)(C)C)F |
| Spectrum/Structure Validation Score (Raman) |
0.98237 |
