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1-(4-{(E)-[4-(trifluoromethyl)phenyl]diazenyl}phenyl)hexahydro-1H-azepine
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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KTITDeWi0Gd
Name 1-(4-{(E)-[4-(trifluoromethyl)phenyl]diazenyl}phenyl)azepane
Alternate Name(s) 1H-Azepine, hexahydro-1-[4-[[4-(trifluoromethyl)phenyl]azo]phenyl]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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(c1ccc(\N=N\c2ccc(N3CCCCCC3)cc2)cc1)(F)(F)F
SPLASH splash10-00dj-3902000000-bdd7cd80de40d5ebc36b
Source of Spectrum IY-1-4268-4
Wiley ID 1650679