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5-(4-bromophenyl)-2,2,10,10-tetramethyl-6,7-diazatetracyclo[9.2.1.0(1,9).0(4,8)]tetradeca-4,7-diene
SpectraBase Compound ID D7yakXYi5Sy
InChI InChI=1S/C22H27BrN2/c1-20(2)12-16-17(13-5-7-15(23)8-6-13)24-25-18(16)19-21(3,4)14-9-10-22(19,20)11-14/h5-8,14,19H,9-12H2,1-4H3,(H,24,25)
InChIKey ABNJVUOSTFGWBA-UHFFFAOYSA-N
Mol Weight 399.38 g/mol
Molecular Formula C22H27BrN2
Exact Mass 398.135762 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KMea88Qm1iR
Name 5-(4-bromophenyl)-2,2,10,10-tetramethyl-6,7-diazatetracyclo[9.2.1.0(1,9).0(4,8)]tetradeca-4,7-diene
Appearance White cotton solid
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Formula C22H27BrN2
InChI InChI=1S/C22H27BrN2/c1-20(2)12-16-17(13-5-7-15(23)8-6-13)24-25-18(16)19-21(3,4)14-9-10-22(19,20)11-14/h5-8,14,19H,9-12H2,1-4H3,(H,24,25)
InChIKey ABNJVUOSTFGWBA-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 399.376 g/mol
SMILES [nH]1nc2C3C(C4CCC3(C(Cc2c1-c1ccc(cc1)Br)(C)C)C4)(C)C
SPLASH splash10-014i-0019000000-d7abfb1c057fdf721947
Source of Spectrum CN104844515A
Wiley ID 1850417