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(E)-1-[2-(Benzylsulfonyl)phenyl]-2-(4-bromophenyl)-1-nitroethene
SpectraBase Compound ID 1Gquq8MNgJ6
InChI InChI=1S/C21H16BrNO4S/c22-18-12-10-16(11-13-18)14-20(23(24)25)19-8-4-5-9-21(19)28(26,27)15-17-6-2-1-3-7-17/h1-14H,15H2/b20-14+
InChIKey MTCXRGAWQLEBEO-XSFVSMFZSA-N
Mol Weight 458.33 g/mol
Molecular Formula C21H16BrNO4S
Exact Mass 456.998342 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L7SrTtt4qbC
Name (E)-1-[2-(Benzylsulfonyl)phenyl]-2-(4-bromophenyl)-1-nitroethene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16BrNO4S
InChI InChI=1S/C21H16BrNO4S/c22-18-12-10-16(11-13-18)14-20(23(24)25)19-8-4-5-9-21(19)28(26,27)15-17-6-2-1-3-7-17/h1-14H,15H2/b20-14+
InChIKey MTCXRGAWQLEBEO-XSFVSMFZSA-N
Molecular Weight 458.326 g/mol
SMILES c1(S(Cc2ccccc2)(=O)=O)c(\C(N(=O)=O)=C/c2ccc(Br)cc2)cccc1
SPLASH splash10-0006-9000000000-4e4d56b77c798b822d69
Source of Spectrum F-67-8167-9g
Wiley ID 1687740