For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Diethyl 2-[(3-aminopropyl)amino]-5-[4-(trifluoromethyl)benzylamino]terephthalate
SpectraBase Compound ID Im7hQbJ7Aap
InChI InChI=1S/C23H28F3N3O4/c1-3-32-21(30)17-13-20(29-14-15-6-8-16(9-7-15)23(24,25)26)18(22(31)33-4-2)12-19(17)28-11-5-10-27/h6-9,12-13,28-29H,3-5,10-11,14,27H2,1-2H3
InChIKey UISUBHRGHARCRD-UHFFFAOYSA-N
Mol Weight 467.49 g/mol
Molecular Formula C23H28F3N3O4
Exact Mass 467.203191 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID HwfZF4lXsSA
Name Diethyl 2-[(3-aminopropyl)amino]-5-[4-(trifluoromethyl)benzylamino]terephthalate
Appearance Red solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H28F3N3O4
InChI InChI=1S/C23H28F3N3O4/c1-3-32-21(30)17-13-20(29-14-15-6-8-16(9-7-15)23(24,25)26)18(22(31)33-4-2)12-19(17)28-11-5-10-27/h6-9,12-13,28-29H,3-5,10-11,14,27H2,1-2H3
InChIKey UISUBHRGHARCRD-UHFFFAOYSA-N
Instrument Name Thermo Scientific DFS
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.15.96
Molecular Weight 467.489 g/mol
Reported Formula C23H28F3N3O4
SMILES N(c1c(cc(c(c1)C(=O)OCC)NCc1ccc(cc1)C(F)(F)F)C(=O)OCC)CCCN
SPLASH splash10-014i-0313900000-f72ec39db47c75bf0254
Source of Spectrum BJO-15-988-8
Thin-Layer Chromatography Rf = 0.15 (SiO2, EtOAc/MeOH, 6:1)
Wiley ID 1845958