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(E,E)-1,3-Bis(2-ethoxycarbonyl-2-tosylethenyl)benzene

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

(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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CDLDwIZwkwl
Name (E,E)-1,3-bis(2-Ethoxycarbonyl-2-tosylethenyl)benzene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 582.138210266 u
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(C=2C=CC(=CC2)C)(=O)=O)C(=O)OCC)=CC(\C=C/(S(C=2C=CC(=CC2)C)(=O)=O)C(=O)OCC)=CC=C1