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

*Links on SpectraBase are not permalinks.
1-[3'-{N-(trifluoroacetyl)-N-isopropylamino}-2'-(trifluoroacetoxy)propoxy]-4-[(carbamoyl)methyl]benzene
SpectraBase Compound ID EOgf3ui33me
InChI InChI=1S/C18H20F6N2O5/c1-10(2)26(15(28)17(19,20)21)8-13(31-16(29)18(22,23)24)9-30-12-5-3-11(4-6-12)7-14(25)27/h3-6,10,13H,7-9H2,1-2H3,(H2,25,27)
InChIKey CUUYKKCESNUWNN-UHFFFAOYSA-N
Mol Weight 458.36 g/mol
Molecular Formula C18H20F6N2O5
Exact Mass 458.127641 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 A70dNVzLseV
Name 1-[3'-{N-(trifluoroacetyl)-N-isopropylamino}-2'-(trifluoroacetoxy)propoxy]-4-[(carbamoyl)methyl]benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20F6N2O5
InChI InChI=1S/C18H20F6N2O5/c1-10(2)26(15(28)17(19,20)21)8-13(31-16(29)18(22,23)24)9-30-12-5-3-11(4-6-12)7-14(25)27/h3-6,10,13H,7-9H2,1-2H3,(H2,25,27)
InChIKey CUUYKKCESNUWNN-UHFFFAOYSA-N
Molecular Weight 458.357 g/mol
SMILES NC(Cc1ccc(OCC(OC(C(F)(F)F)=O)CN(C(C(F)(F)F)=O)C(C)C)cc1)=O
SPLASH splash10-066r-0596000000-de8c3b7d5ce9f760c256
Source of Spectrum CJ-0-50-0
Synonyms 2-[4-(2-amino-2-oxoethyl)phenoxy]-1-{[isopropyl(trifluoroacetyl)amino]methyl}ethyl trifluoroacetate Bis(trifluoroacetyl)-atenolol derivative
Wiley ID 1389743