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1-(4-{(E)-[4-(trifluoromethyl)phenyl]diazenyl}phenyl)azepane

View entire compound with spectra: 2 NMR, and 1 MS (GC)

1-(4-{(E)-[4-(trifluoromethyl)phenyl]diazenyl}phenyl)azepane
SpectraBase Compound ID WnVKjAgrxw
InChI InChI=1S/C19H20F3N3/c20-19(21,22)15-5-7-16(8-6-15)23-24-17-9-11-18(12-10-17)25-13-3-1-2-4-14-25/h5-12H,1-4,13-14H2/b24-23+
InChIKey MFKCKNCEXHDLNG-WCWDXBQESA-N
Mol Weight 347.39 g/mol
Molecular Formula C19H20F3N3
Exact Mass 347.160932 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B5mxVie0xu2
Name 1-(4-{(E)-[4-(Trifluoromethyl)phenyl]diazenyl}phenyl)azepane
Comments Computed using HOSE algorithm
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Exact Mass 347.160932145 u
Formula C19H20F3N3
InChI InChI=1S/C19H20F3N3/c20-19(21,22)15-5-7-16(8-6-15)23-24-17-9-11-18(12-10-17)25-13-3-1-2-4-14-25/h5-12H,1-4,13-14H2/b24-23+
InChIKey MFKCKNCEXHDLNG-WCWDXBQESA-N
Molecular Weight 347.385 g/mol
SMILES C(C=1C=CC(\N=N\C2=CC=C(N3CCCCCC3)C=C2)=CC1)(F)(F)F