| SpectraBase Spectrum ID |
El8AbVszEOy |
| Name |
rac-Diethyl 2-[5-(1,2-dithiolan-3-yl)pentanoylamino]-5-[4- (trifluoromethyl)benzylamino]terephthalate |
| Appearance |
Bright yellow solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H33F3N2O5S2 |
| InChI |
InChI=1S/C28H33F3N2O5S2/c1-3-37-26(35)21-16-24(33-25(34)8-6-5-7-20-13-14-39-40-20)22(27(36)38-4-2)15-23(21)32-17-18-9-11-19(12-10-18)28(29,30)31/h9-12,15-16,20,32H,3-8,13-14,17H2,1-2H3,(H,33,34) |
| InChIKey |
IZTUGNAFFFQRDF-UHFFFAOYSA-N |
| Instrument Name |
Thermo Scientific DFS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.15.96 |
| Molecular Weight |
598.696 g/mol |
| Reported Formula |
C28H33F3N2O5S2 |
| SMILES |
N(c1c(cc(c(c1)C(=O)OCC)NCc1ccc(cc1)C(F)(F)F)C(=O)OCC)C(=O)CCCCC1CCSS1 |
| SPLASH |
splash10-05fr-9300330000-9dd1d776e296351cd642 |
| Source of Spectrum |
BJO-15-988-3 |
| Thin-Layer Chromatography |
Rf = 0.25 (SiO2, hexanes/EtOAc, 6:1) |
| Wiley ID |
1845955 |
![rac-Diethyl 2-[5-(1,2-dithiolan-3-yl)pentanoylamino]-5-[4- (trifluoromethyl)benzylamino]terephthalate](/api/spectrum/El8AbVszEOy/structure.png?h=300&w=458 "rac-Diethyl 2-[5-(1,2-dithiolan-3-yl)pentanoylamino]-5-[4- (trifluoromethyl)benzylamino]terephthalate")
