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2,2,2-Trifluoro-N-methyl-N-(4-{4-[(trifluoroacetyl)amino]phenoxy}phenyl)acetamide
SpectraBase Compound ID 3S7mwKkvQAR
InChI InChI=1S/C17H12F6N2O3/c1-25(15(27)17(21,22)23)11-4-8-13(9-5-11)28-12-6-2-10(3-7-12)24-14(26)16(18,19)20/h2-9H,1H3,(H,24,26)
InChIKey VNNJUGSJUXWZTD-UHFFFAOYSA-N
Mol Weight 406.28 g/mol
Molecular Formula C17H12F6N2O3
Exact Mass 406.075211 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IqB8ZkdKHnL
Name 2,2,2-Trifluoro-N-methyl-N-(4-{4-[(trifluoroacetyl)amino]phenoxy}phenyl)acetamide
Comments Computed using HOSE algorithm
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Exact Mass 406.075211229 u
Formula C17H12F6N2O3
InChI InChI=1S/C17H12F6N2O3/c1-25(15(27)17(21,22)23)11-4-8-13(9-5-11)28-12-6-2-10(3-7-12)24-14(26)16(18,19)20/h2-9H,1H3,(H,24,26)
InChIKey VNNJUGSJUXWZTD-UHFFFAOYSA-N
Molecular Weight 406.284 g/mol
SMILES C1(=CC=C(C=C1)N(C(C(F)(F)F)=O)C)OC=1C=CC(=CC1)NC(C(F)(F)F)=O