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7'-Ethoxycarbonylbiphenylene-2'-ylmethyl 7-[(E)-3",5"-di-tert-butylstyryl]biphenylene-2-ylmethyl sulfone
SpectraBase Compound ID BcQqVFS08h
InChI InChI=1S/C45H44O4S/c1-8-49-43(46)32-14-18-38-37-17-13-31(23-41(37)42(38)24-32)27-50(47,48)26-30-12-16-36-35-15-11-28(21-39(35)40(36)22-30)9-10-29-19-33(44(2,3)4)25-34(20-29)45(5,6)7/h9-25H,8,26-27H2,1-7H3/b10-9+
InChIKey OJFQMEMZBQYZNT-MDZDMXLPSA-N
Mol Weight 680.9 g/mol
Molecular Formula C45H44O4S
Exact Mass 680.296031 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID wDICHoTscP
Name 7'-Ethoxycarbonylbiphenylene-2'-ylmethyl 7-[(E)-3",5"-di-tert-butylstyryl]biphenylene-2-ylmethyl sulfone
Alternate Name(s) 7'-Ethoxycarbonylbiphenylene-2'-ylmethyl 7-[(E)-3'',5''-di-tert-butylstyryl]biphenylene-2-ylmethyl sulfone Ethyl 7-{[({7-[(E)-2-(3,5-ditert-butylphenyl)ethenyl]-2-biphenylenyl}methyl)sulfonyl]methyl}-2-biphenylenecarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C45H44O4S
InChI InChI=1S/C45H44O4S/c1-8-49-43(46)32-14-18-38-37-17-13-31(23-41(37)42(38)24-32)27-50(47,48)26-30-12-16-36-35-15-11-28(21-39(35)40(36)22-30)9-10-29-19-33(44(2,3)4)25-34(20-29)45(5,6)7/h9-25H,8,26-27H2,1-7H3/b10-9+
InChIKey OJFQMEMZBQYZNT-MDZDMXLPSA-N
Molecular Weight 680.903 g/mol
SMILES c12-c3cc(CS(=O)(=O)Cc4cc5-c6cc(\C=C\c7cc(C(C)(C)C)cc(c7)C(C)(C)C)ccc6-c5cc4)ccc3-c2ccc(c1)C(=O)OCC
SPLASH splash10-004i-0009000000-00117df7f3b5734a24ea
Source of Spectrum QA-44-222-28
Wiley ID 862357