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1-((E)-2-[1-(4-Bromophenyl)-1H-tetraazol-5-yl]ethenyl)azepane
SpectraBase Compound ID FWNSsKZ2Kz3
InChI InChI=1S/C15H18BrN5/c16-13-5-7-14(8-6-13)21-15(17-18-19-21)9-12-20-10-3-1-2-4-11-20/h5-9,12H,1-4,10-11H2/b12-9+
InChIKey BUPIRNHJAYPEOZ-FMIVXFBMSA-N
Mol Weight 348.25 g/mol
Molecular Formula C15H18BrN5
Exact Mass 347.074559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1iuDhnJzHDp
Name 1-((E)-2-[1-(4-Bromophenyl)-1H-tetraazol-5-yl]ethenyl)azepane
Alternate Name(s) 1-(4-Bromophenyl)-5-[2-(cyclohexamethyleneamino)vinyl]-1H-tetrazole 1-[(E)-2-[1-(4-bromophenyl)-1,2,3,4-tetrazol-5-yl]ethenyl]azepane 1-[(E)-2-[1-(4-bromophenyl)-5-tetrazolyl]ethenyl]azepane 1-[(E)-2-[1-(4-bromophenyl)tetrazol-5-yl]ethenyl]azepane 1-[(E)-2-[1-(4-bromophenyl)tetrazol-5-yl]vinyl]azepane
CAS Registry Number 125037-54-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18BrN5
InChI InChI=1S/C15H18BrN5/c16-13-5-7-14(8-6-13)21-15(17-18-19-21)9-12-20-10-3-1-2-4-11-20/h5-9,12H,1-4,10-11H2/b12-9+
InChIKey BUPIRNHJAYPEOZ-FMIVXFBMSA-N
Molecular Weight 348.248 g/mol
SMILES c1(Br)ccc(cc1)-[n]1nnnc1\C=C\N1CCCCCC1
SPLASH splash10-00r2-5539000000-b60f00034db14eab723c
Source of Spectrum O-24-829-21
Wiley ID 1339894