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5-(Trifluoromethoxy)-1-{2-[4-(trifluoromethyl)phenoxy]ethyl}indoline-2,3-dione
SpectraBase Compound ID 4RLeCmKL0XS
InChI InChI=1S/C18H11F6NO4/c19-17(20,21)10-1-3-11(4-2-10)28-8-7-25-14-6-5-12(29-18(22,23)24)9-13(14)15(26)16(25)27/h1-6,9H,7-8H2
InChIKey KQQVBMZVWJTEFB-UHFFFAOYSA-N
Mol Weight 419.28 g/mol
Molecular Formula C18H11F6NO4
Exact Mass 419.059227 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K2xNQIz2gv8
Name 5-(Trifluoromethoxy)-1-{2-[4-(trifluoromethyl)phenoxy]ethyl}indoline-2,3-dione
Comments Computed using HOSE algorithm
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Exact Mass 419.059226812 u
Formula C18H11F6NO4
InChI InChI=1S/C18H11F6NO4/c19-17(20,21)10-1-3-11(4-2-10)28-8-7-25-14-6-5-12(29-18(22,23)24)9-13(14)15(26)16(25)27/h1-6,9H,7-8H2
InChIKey KQQVBMZVWJTEFB-UHFFFAOYSA-N
Molecular Weight 419.279 g/mol
SMILES C1(N(C2=C(C1=O)C=C(C=C2)OC(F)(F)F)CCOC1=CC=C(C=C1)C(F)(F)F)=O