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N,N'-bis[2-(methoxycarbonyl)-4,4,4-trifluoro-1-(2,2,2-trifluoroethyl)butyl]urea
SpectraBase Compound ID BhdF4gSEQvE
InChI InChI=1S/C17H20F12N2O5/c1-35-11(32)7(3-14(18,19)20)9(5-16(24,25)26)30-13(34)31-10(6-17(27,28)29)8(12(33)36-2)4-15(21,22)23/h7-10H,3-6H2,1-2H3,(H2,30,31,34)
InChIKey MGTUONPHGPKPKD-UHFFFAOYSA-N
Mol Weight 560.34 g/mol
Molecular Formula C17H20F12N2O5
Exact Mass 560.11806 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 82e8HVW0pa2
Name N,N'-bis[2-(methoxycarbonyl)-4,4,4-trifluoro-1-(2,2,2-trifluoroethyl)butyl]urea
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Formula C17H20F12N2O5
InChI InChI=1S/C17H20F12N2O5/c1-35-11(32)7(3-14(18,19)20)9(5-16(24,25)26)30-13(34)31-10(6-17(27,28)29)8(12(33)36-2)4-15(21,22)23/h7-10H,3-6H2,1-2H3,(H2,30,31,34)
InChIKey MGTUONPHGPKPKD-UHFFFAOYSA-N
Molecular Weight 560.337 g/mol
SMILES N(C(NC(C(C(=O)OC)CC(F)(F)F)CC(F)(F)F)=O)C(C(C(=O)OC)CC(F)(F)F)CC(F)(F)F
SPLASH splash10-040r-0960170000-2b31db06f4bce3e3272e
Source of Spectrum J-54-875-10
Synonyms Methyl 1,1,1,6,6,6-hexafluoro-4-[({[4,4,4-trifluoro-2-(methoxycarbonyl)-1-(2,2,2-trifluoroethyl)butyl]amino}carbonyl)amino]-3-hexanecarboxylate
Wiley ID 1406685