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1-{2'-[N-isopropyl-N-trifluoroacetylamino]-1'-(trifluoroacetoxy)ethyl}-4-nitrobenzene
SpectraBase Compound ID EB31hHUVW6c
InChI InChI=1S/C15H14F6N2O5/c1-8(2)22(12(24)14(16,17)18)7-11(28-13(25)15(19,20)21)9-3-5-10(6-4-9)23(26)27/h3-6,8,11H,7H2,1-2H3
InChIKey KGXRMYKDCZSXOU-UHFFFAOYSA-N
Mol Weight 416.28 g/mol
Molecular Formula C15H14F6N2O5
Exact Mass 416.080691 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4fQrq3wLB15
Name 1-{2'-[N-isopropyl-N-trifluoroacetylamino]-1'-(trifluoroacetoxy)ethyl}-4-nitrobenzene
Alternate Name(s) 2-[isopropyl(trifluoroacetyl)amino]-1-(4-nitrophenyl)ethyl trifluoroacetate Bis(trifluoroacetyl)nifenalol
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Formula C15H14F6N2O5
InChI InChI=1S/C15H14F6N2O5/c1-8(2)22(12(24)14(16,17)18)7-11(28-13(25)15(19,20)21)9-3-5-10(6-4-9)23(26)27/h3-6,8,11H,7H2,1-2H3
InChIKey KGXRMYKDCZSXOU-UHFFFAOYSA-N
Molecular Weight 416.276 g/mol
SMILES C(N(CC(OC(C(F)(F)F)=O)c1ccc(N(=O)=O)cc1)C(C)C)(C(F)(F)F)=O
SPLASH splash10-016r-0900000000-3e59e865a3689009616f
Source of Spectrum CJ-0-33-0
Wiley ID 1376168