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2-Pentanone, 4,4'-[(methylimino)bis(3,1-propanediylnitrilo)]bis[1,1,1-trifluoro-
SpectraBase Compound ID HqGM3QywXwT
InChI InChI=1S/C17H25F6N3O2/c1-12(10-14(27)16(18,19)20)24-6-4-8-26(3)9-5-7-25-13(2)11-15(28)17(21,22)23/h4-11H2,1-3H3/b24-12-,25-13+
InChIKey HEOIXQIIEOLXSE-UNFIKANMSA-N
Mol Weight 417.4 g/mol
Molecular Formula C17H25F6N3O2
Exact Mass 417.185096 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4YiO9AoC8pT
Name 2-Pentanone, 4,4'-[(methylimino)bis(3,1-propanediylnitrilo)]bis[1,1,1-trifluoro-
Alternate Name(s) (4E)-1,1,1-trifluoro-4-({(E)-3-[methyl(3-{[(Z)-4,4,4-trifluoro-1-methyl-3-oxobutylidene]amino}propyl)amino]propyl}imino)-2-pentanone Bis(5,5,5-trifluoro-4-oxopentan-2-n-propylene)methylamine
CAS Registry Number 77080-93-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H25F6N3O2
InChI InChI=1S/C17H25F6N3O2/c1-12(10-14(27)16(18,19)20)24-6-4-8-26(3)9-5-7-25-13(2)11-15(28)17(21,22)23/h4-11H2,1-3H3/b24-12-,25-13+
InChIKey HEOIXQIIEOLXSE-UNFIKANMSA-N
Molecular Weight 417.396 g/mol
SMILES C(C(C\C(=N\CCCN(CCC\N=C/(CC(C(F)(F)F)=O)C)C)C)=O)(F)(F)F
SPLASH splash10-052f-9000000000-0732a6f96556ad4ec9ae
Source of Spectrum O-20-386-2
Wiley ID 1376762