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3-cyclohexyl-N-(2-{[(3,4-dimethylphenyl)carbamoyl]amino}-1,1,1,3,3,3-hexafluoropropan-2-yl)propanamide
SpectraBase Compound ID CCzI5e2wtbe
InChI InChI=1S/C21H27F6N3O2/c1-13-8-10-16(12-14(13)2)28-18(32)30-19(20(22,23)24,21(25,26)27)29-17(31)11-9-15-6-4-3-5-7-15/h8,10,12,15H,3-7,9,11H2,1-2H3,(H,29,31)(H2,28,30,32)
InChIKey AZDAEFWVOAAQIU-UHFFFAOYSA-N
Mol Weight 467.46 g/mol
Molecular Formula C21H27F6N3O2
Exact Mass 467.200746 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8jaiTYWgGZJ
Name 3-cyclohexyl-N-(2-{[(3,4-dimethylphenyl)carbamoyl]amino}-1,1,1,3,3,3-hexafluoropropan-2-yl)propanamide
Alternate Name(s) 3-cyclohexyl-N-[2-[[(3,4-dimethylanilino)-oxomethyl]amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]propanamide 3-cyclohexyl-N-[2-[(3,4-dimethylphenyl)carbamoylamino]-1,1,1,3,3,3-hexafluoropropan-2-yl]propanamide 3-cyclohexyl-N-[1-[(3,4-dimethylphenyl)carbamoylamino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]propanamide 3-cyclohexyl-N-[2-[(3,4-dimethylphenyl)carbamoylamino]-1,1,1,3,3,3-hexakis(fluoranyl)propan-2-yl]propanamide
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Formula C21H27F6N3O2
InChI InChI=1S/C21H27F6N3O2/c1-13-8-10-16(12-14(13)2)28-18(32)30-19(20(22,23)24,21(25,26)27)29-17(31)11-9-15-6-4-3-5-7-15/h8,10,12,15H,3-7,9,11H2,1-2H3,(H,29,31)(H2,28,30,32)
InChIKey AZDAEFWVOAAQIU-UHFFFAOYSA-N
Molecular Weight 467.456 g/mol
SMILES N(C(=O)CCC1CCCCC1)C(C(F)(F)F)(NC(Nc1cc(c(cc1)C)C)=O)C(F)(F)F
SPLASH splash10-006t-4912000000-5c73a3a29a21e953d311
Source of Spectrum IY-2-5035-2
Wiley ID 1658335