| SpectraBase Spectrum ID |
jGMyt1mvA |
| Name |
Diethyl 2-[3-(allyloxycarbonylamino)propylamino]-5-[4-(trifluoromethyl)benzylamino]terephthalate |
| Appearance |
orange-red solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H32F3N3O6 |
| InChI |
InChI=1S/C27H32F3N3O6/c1-4-14-39-26(36)32-13-7-12-31-22-15-21(25(35)38-6-3)23(16-20(22)24(34)37-5-2)33-17-18-8-10-19(11-9-18)27(28,29)30/h4,8-11,15-16,31,33H,1,5-7,12-14,17H2,2-3H3,(H,32,36) |
| InChIKey |
NASZXSOYRVMHCK-UHFFFAOYSA-N |
| Instrument Name |
Thermo Scientific DFS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.15.96 |
| Molecular Weight |
551.563 g/mol |
| Reported Formula |
C27H32F3N3O6 |
| SMILES |
N(c1c(cc(c(c1)C(=O)OCC)NCc1ccc(cc1)C(F)(F)F)C(=O)OCC)CCCNC(=O)OCC=C |
| SPLASH |
splash10-0f96-0217960000-1b8f3e2f49564547ead0 |
| Source of Spectrum |
BJO-15-988-6 |
| Thin-Layer Chromatography |
Rf = 0.24 (SiO2, hexanes/EtOAc, 3:1) |
| Wiley ID |
1845957 |
![Diethyl 2-[3-(allyloxycarbonylamino)propylamino]-5-[4-(trifluoromethyl)benzylamino]terephthalate](/api/spectrum/jGMyt1mvA/structure.png?h=300&w=458 "Diethyl 2-[3-(allyloxycarbonylamino)propylamino]-5-[4-(trifluoromethyl)benzylamino]terephthalate")
