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2,7-Bis(3',5'-di-tert-butylbenzylsulfonylmethyl)biphenylene
SpectraBase Compound ID EsU2ZBtEPLJ
InChI InChI=1S/C44H56O4S2/c1-41(2,3)33-17-31(18-34(23-33)42(4,5)6)27-49(45,46)25-29-13-15-37-38-16-14-30(22-40(38)39(37)21-29)26-50(47,48)28-32-19-35(43(7,8)9)24-36(20-32)44(10,11)12/h13-24H,25-28H2,1-12H3
InChIKey WVCIUJRVHPHLOJ-UHFFFAOYSA-N
Mol Weight 713.0 g/mol
Molecular Formula C44H56O4S2
Exact Mass 712.362003 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ShU1QN5lAE
Name 2,7-Bis(3',5'-di-tert-butylbenzylsulfonylmethyl)biphenylene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H56O4S2
InChI InChI=1S/C44H56O4S2/c1-41(2,3)33-17-31(18-34(23-33)42(4,5)6)27-49(45,46)25-29-13-15-37-38-16-14-30(22-40(38)39(37)21-29)26-50(47,48)28-32-19-35(43(7,8)9)24-36(20-32)44(10,11)12/h13-24H,25-28H2,1-12H3
InChIKey WVCIUJRVHPHLOJ-UHFFFAOYSA-N
Molecular Weight 713.048 g/mol
SMILES c12-c3cc(CS(=O)(=O)Cc4cc(C(C)(C)C)cc(c4)C(C)(C)C)ccc3-c1ccc(CS(=O)(=O)Cc1cc(C(C)(C)C)cc(c1)C(C)(C)C)c2
SPLASH splash10-0faj-0789500000-472563e92eda87624dba
Source of Spectrum QA-44-218-10
Synonyms 2,7-bis{[(3,5-ditert-butylbenzyl)sulfonyl]methyl}biphenylene
Wiley ID 862366