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(E)-2-(2-(2-(4-Bromophenyl)-2-oxoethyl)-2H-tetrazol-5-yl)-3-(p-tolyl)acrylonitrile

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(E)-2-(2-(2-(4-Bromophenyl)-2-oxoethyl)-2H-tetrazol-5-yl)-3-(p-tolyl)acrylonitrile
SpectraBase Compound ID 2bfUAUfHbbD
InChI InChI=1S/C19H14BrN5O/c1-13-2-4-14(5-3-13)10-16(11-21)19-22-24-25(23-19)12-18(26)15-6-8-17(20)9-7-15/h2-10H,12H2,1H3/b16-10+
InChIKey VISYCHSCTRAJOH-MHWRWJLKSA-N
Mol Weight 408.26 g/mol
Molecular Formula C19H14BrN5O
Exact Mass 407.038173 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KzxtDAYgw88
Name (E)-2-(2-(2-(4-Bromophenyl)-2-oxoethyl)-2H-tetrazol-5-yl)-3-(p-tolyl)acrylonitrile
Comments Computed using HOSE algorithm
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Exact Mass 407.038173090 u
Formula C19H14BrN5O
InChI InChI=1S/C19H14BrN5O/c1-13-2-4-14(5-3-13)10-16(11-21)19-22-24-25(23-19)12-18(26)15-6-8-17(20)9-7-15/h2-10H,12H2,1H3/b16-10+
InChIKey VISYCHSCTRAJOH-MHWRWJLKSA-N
Molecular Weight 408.259 g/mol
SMILES C(\C(=C/C=1C=CC(=CC1)C)C=1N=NN(N1)CC(=O)C=1C=CC(=CC1)Br)#N