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

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(E)-2-(2-(2-(4-Bromophenyl)-2-oxoethyl)-2H-tetrazol-5-yl)-3-(4-isopropylphenyl)acrylonitrile
SpectraBase Compound ID CwFq1lMA8zU
InChI InChI=1S/C21H18BrN5O/c1-14(2)16-5-3-15(4-6-16)11-18(12-23)21-24-26-27(25-21)13-20(28)17-7-9-19(22)10-8-17/h3-11,14H,13H2,1-2H3/b18-11+
InChIKey FFVZUVKPEGGMEY-WOJGMQOQSA-N
Mol Weight 436.31 g/mol
Molecular Formula C21H18BrN5O
Exact Mass 435.069473 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7YnzBp2hSvV
Name (E)-2-(2-(2-(4-Bromophenyl)-2-oxoethyl)-2H-tetrazol-5-yl)-3-(4-isopropylphenyl)acrylonitrile
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 435.069473219 u
Formula C21H18BrN5O
InChI InChI=1S/C21H18BrN5O/c1-14(2)16-5-3-15(4-6-16)11-18(12-23)21-24-26-27(25-21)13-20(28)17-7-9-19(22)10-8-17/h3-11,14H,13H2,1-2H3/b18-11+
InChIKey FFVZUVKPEGGMEY-WOJGMQOQSA-N
Molecular Weight 436.313 g/mol
SMILES C(\C(=C/C=1C=CC(=CC1)C(C)C)C=1N=NN(N1)CC(=O)C=1C=CC(=CC1)Br)#N