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(E)-1-[2-(Benzylsulfonyl)phenyl]-1-nitro-2-(o-tolyl)ethene
SpectraBase Compound ID CoVQRXBNgcM
InChI InChI=1S/C22H19NO4S/c1-17-9-5-6-12-19(17)15-21(23(24)25)20-13-7-8-14-22(20)28(26,27)16-18-10-3-2-4-11-18/h2-15H,16H2,1H3/b21-15+
InChIKey XAFYFVXAUMQHFV-RCCKNPSSSA-N
Mol Weight 393.46 g/mol
Molecular Formula C22H19NO4S
Exact Mass 393.103479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3nnUnimyvxq
Name (E)-1-[2-(Benzylsulfonyl)phenyl]-1-nitro-2-(o-tolyl)ethene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H19NO4S
InChI InChI=1S/C22H19NO4S/c1-17-9-5-6-12-19(17)15-21(23(24)25)20-13-7-8-14-22(20)28(26,27)16-18-10-3-2-4-11-18/h2-15H,16H2,1H3/b21-15+
InChIKey XAFYFVXAUMQHFV-RCCKNPSSSA-N
Molecular Weight 393.457 g/mol
SMILES c1(S(Cc2ccccc2)(=O)=O)c(\C(N(=O)=O)=C/c2c(C)cccc2)cccc1
SPLASH splash10-0006-9002000000-d951c7ce8c6e7e354757
Source of Spectrum F-67-8167-9b
Wiley ID 1687744