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

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(E)-2-(2-(2-(4-Bromophenyl)-2-oxoethyl)-2H-tetrazol-5-yl)-3-(4-methoxyphenyl)acrylonitrile
SpectraBase Compound ID 5v6f9FeB2HJ
InChI InChI=1S/C19H14BrN5O2/c1-27-17-8-2-13(3-9-17)10-15(11-21)19-22-24-25(23-19)12-18(26)14-4-6-16(20)7-5-14/h2-10H,12H2,1H3/b15-10+
InChIKey MBXVWNAIKUWDBN-XNTDXEJSSA-N
Mol Weight 424.26 g/mol
Molecular Formula C19H14BrN5O2
Exact Mass 423.033088 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LqJS3QHbdjl
Name (E)-2-(2-(2-(4-Bromophenyl)-2-oxoethyl)-2H-tetrazol-5-yl)-3-(4-methoxyphenyl)acrylonitrile
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 423.033087709 u
Formula C19H14BrN5O2
InChI InChI=1S/C19H14BrN5O2/c1-27-17-8-2-13(3-9-17)10-15(11-21)19-22-24-25(23-19)12-18(26)14-4-6-16(20)7-5-14/h2-10H,12H2,1H3/b15-10+
InChIKey MBXVWNAIKUWDBN-XNTDXEJSSA-N
Molecular Weight 424.258 g/mol
SMILES C(\C(=C/C=1C=CC(=CC1)OC)C=1N=NN(N1)CC(=O)C=1C=CC(=CC1)Br)#N