| SpectraBase Spectrum ID |
IzPpHWtH1We |
| Name |
1,4-bis(p-Tolylsulfonyl)-2,3,5,6-tetrafluorobenzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
458.026963927 u |
| Formula |
C20H14F4O4S2 |
| InChI |
InChI=1S/C20H14F4O4S2/c1-11-3-7-13(8-4-11)29(25,26)19-15(21)17(23)20(18(24)16(19)22)30(27,28)14-9-5-12(2)6-10-14/h3-10H,1-2H3 |
| InChIKey |
YWTRXFJZMFWWQS-UHFFFAOYSA-N |
| Molecular Weight |
458.442 g/mol |
| SMILES |
C1(S(C=2C=CC(=CC2)C)(=O)=O)=C(C(F)=C(C(=C1F)F)S(=O)(=O)C1=CC=C(C=C1)C)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.884964 |
