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(E,E)-1,3-Bis(2-ethoxycarbonyl-2-tosylethenyl)benzene
SpectraBase Compound ID D8IotAObCPi
InChI InChI=1S/C30H30O8S2/c1-5-37-29(31)27(39(33,34)25-14-10-21(3)11-15-25)19-23-8-7-9-24(18-23)20-28(30(32)38-6-2)40(35,36)26-16-12-22(4)13-17-26/h7-20H,5-6H2,1-4H3/b27-19+,28-20+
InChIKey LODHPIZMOCLXAL-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 9evYPTb24s7
Name (E,E)-1,3-Bis(2-ethoxycarbonyl-2-tosylethenyl)benzene
Alternate Name(s) Ethyl (2E)-3-(3-{(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)25-14-10-21(3)11-15-25)19-23-8-7-9-24(18-23)20-28(30(32)38-6-2)40(35,36)26-16-12-22(4)13-17-26/h7-20H,5-6H2,1-4H3/b27-19+,28-20+
InChIKey LODHPIZMOCLXAL-MKYUKRCKSA-N
Molecular Weight 582.682 g/mol
SMILES c1(\C=C/(S(c2ccc(cc2)C)(=O)=O)C(=O)OCC)cc(\C=C/(S(c2ccc(cc2)C)(=O)=O)C(=O)OCC)ccc1
SPLASH splash10-001i-0009120000-3322aef0e43c33fb1218
Source of Spectrum SO-0-400-1
Wiley ID 864281