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2-[3'-{N'-(trifluoroacetyl)-N'-(t-butyl)amino-2'-(trifluoroacetoxy)propoxy]benzonitrile
SpectraBase Compound ID 7aXJgZUV5KR
InChI InChI=1S/C18H18F6N2O4/c1-16(2,3)26(14(27)17(19,20)21)9-12(30-15(28)18(22,23)24)10-29-13-7-5-4-6-11(13)8-25/h4-7,12H,9-10H2,1-3H3
InChIKey JKCMVIPIKZODNZ-UHFFFAOYSA-N
Mol Weight 440.34 g/mol
Molecular Formula C18H18F6N2O4
Exact Mass 440.117076 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FMQ9Xjvm7dS
Name 2-[3'-{N'-(trifluoroacetyl)-N'-(t-butyl)amino-2'-(trifluoroacetoxy)propoxy]benzonitrile
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Formula C18H18F6N2O4
InChI InChI=1S/C18H18F6N2O4/c1-16(2,3)26(14(27)17(19,20)21)9-12(30-15(28)18(22,23)24)10-29-13-7-5-4-6-11(13)8-25/h4-7,12H,9-10H2,1-3H3
InChIKey JKCMVIPIKZODNZ-UHFFFAOYSA-N
Molecular Weight 440.342 g/mol
SMILES C(N(C(C)(C)C)CC(OC(C(F)(F)F)=O)COc1c(C#N)cccc1)(C(F)(F)F)=O
SPLASH splash10-0ar0-8662900000-38f8df440fbc167d3fac
Source of Spectrum CJ-0-49-0
Synonyms 2-[tert-butyl(trifluoroacetyl)amino]-1-[(2-cyanophenoxy)methyl]ethyl trifluoroacetate Bis(trifluoroacetyl)-bunitrolol derivative
Wiley ID 1384549