| SpectraBase Spectrum ID |
L46VaKndr1s |
| Name |
1-(2-{2-[3,5-bis(Trifluoromethyl)phenylsulfonyl]ethoxy}ethylsulfonyl)-3,5-di(trifluoromethyl)benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
626.009103850 u |
| Formula |
C20H14F12O5S2 |
| InChI |
InChI=1S/C20H14F12O5S2/c21-17(22,23)11-5-12(18(24,25)26)8-15(7-11)38(33,34)3-1-37-2-4-39(35,36)16-9-13(19(27,28)29)6-14(10-16)20(30,31)32/h5-10H,1-4H2 |
| InChIKey |
YRIKSYUECSLGIM-UHFFFAOYSA-N |
| Molecular Weight |
626.428 g/mol |
| SMILES |
C=1(C=C(C=C(C1)C(F)(F)F)C(F)(F)F)S(=O)(=O)CCOCCS(=O)(=O)C=1C=C(C=C(C1)C(F)(F)F)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.911269 |
![1-(2-{2-[3,5-Bis(trifluoromethyl)phenylsulfonyl]ethoxy}ethylsulfonyl)-3,5-di(trifluoromethyl)benzene](/api/spectrum/L46VaKndr1s/structure.png?h=300&w=458 "1-(2-{2-[3,5-Bis(trifluoromethyl)phenylsulfonyl]ethoxy}ethylsulfonyl)-3,5-di(trifluoromethyl)benzene")
