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(E)-2-(2-(2-(4-Bromophenyl)-2-oxoethyl)-2H-tetrazol-5-yl)-3-(4-hydroxyphenyl)acrylonitrile
SpectraBase Compound ID LiTBfLnxkOY
InChI InChI=1S/C18H12BrN5O2/c19-15-5-3-13(4-6-15)17(26)11-24-22-18(21-23-24)14(10-20)9-12-1-7-16(25)8-2-12/h1-9,25H,11H2/b14-9+
InChIKey JHYBKTSLHSUQMZ-NTEUORMPSA-N
Mol Weight 410.23 g/mol
Molecular Formula C18H12BrN5O2
Exact Mass 409.017438 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CMaJOO2tKQ5
Name (E)-2-(2-(2-(4-Bromophenyl)-2-oxoethyl)-2H-tetrazol-5-yl)-3-(4-hydroxyphenyl)acrylonitrile
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Formula C18H12BrN5O2
InChI InChI=1S/C18H12BrN5O2/c19-15-5-3-13(4-6-15)17(26)11-24-22-18(21-23-24)14(10-20)9-12-1-7-16(25)8-2-12/h1-9,25H,11H2/b14-9+
InChIKey JHYBKTSLHSUQMZ-NTEUORMPSA-N
Literature Reference DOI 10.1515/znb-2015-0070
Molecular Weight 410.231 g/mol
SMILES Oc1ccc(\C=C/(C#N)c2nn[n](n2)CC(=O)c2ccc(cc2)Br)cc1
SPLASH splash10-00ej-0900000000-bd53f2aff25c4e1a12bc
Source of Spectrum ZNB-70-827-4i
Wiley ID 1803362