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(E,E)-1,4-Bis(2-ethoxycarbonyl-2-tosylethenyl)benzene
SpectraBase Compound ID UBXKDjJ4bK
InChI InChI=1S/C30H30O8S2/c1-5-37-29(31)27(39(33,34)25-15-7-21(3)8-16-25)19-23-11-13-24(14-12-23)20-28(30(32)38-6-2)40(35,36)26-17-9-22(4)10-18-26/h7-20H,5-6H2,1-4H3/b27-19+,28-20+
InChIKey IYOCFRSXZIEGAC-MKYUKRCKSA-N
Mol Weight 582.68 g/mol
Molecular Formula C30H30O8S2
Exact Mass 582.13821 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CeQgwHqlvnD
Name (E,E)-1,4-Bis(2-ethoxycarbonyl-2-tosylethenyl)benzene
Alternate Name(s) Ethyl (2E)-3-(4-{(1E)-3-ethoxy-2-[(4-methylphenyl)sulfonyl]-3-oxo-1-propenyl}phenyl)-2-[(4-methylphenyl)sulfonyl]-2-propenoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H30O8S2
InChI InChI=1S/C30H30O8S2/c1-5-37-29(31)27(39(33,34)25-15-7-21(3)8-16-25)19-23-11-13-24(14-12-23)20-28(30(32)38-6-2)40(35,36)26-17-9-22(4)10-18-26/h7-20H,5-6H2,1-4H3/b27-19+,28-20+
InChIKey IYOCFRSXZIEGAC-MKYUKRCKSA-N
Molecular Weight 582.682 g/mol
SMILES C(\C(S(c1ccc(cc1)C)(=O)=O)=C/c1ccc(\C=C/(S(c2ccc(cc2)C)(=O)=O)C(=O)OCC)cc1)(=O)OCC
SPLASH splash10-003r-0009640000-aca5079cf2ef2278e431
Source of Spectrum SO-0-400-1
Wiley ID 864280