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Ethyl 7-[(3',5'-di-tert-butylbenzyl)sulfonylmethyl]biphenylene-2-carboxylate
SpectraBase Compound ID CJJXJhpG4OJ
InChI InChI=1S/C31H36O4S/c1-8-35-29(32)22-10-12-26-25-11-9-20(15-27(25)28(26)16-22)18-36(33,34)19-21-13-23(30(2,3)4)17-24(14-21)31(5,6)7/h9-17H,8,18-19H2,1-7H3
InChIKey JSDFHHYPRHVBRG-UHFFFAOYSA-N
Mol Weight 504.7 g/mol
Molecular Formula C31H36O4S
Exact Mass 504.233431 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B6YeGFi4Sv1
Name Ethyl 7-[(3',5'-di-tert-butylbenzyl)sulfonylmethyl]biphenylene-2-carboxylate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H36O4S
InChI InChI=1S/C31H36O4S/c1-8-35-29(32)22-10-12-26-25-11-9-20(15-27(25)28(26)16-22)18-36(33,34)19-21-13-23(30(2,3)4)17-24(14-21)31(5,6)7/h9-17H,8,18-19H2,1-7H3
InChIKey JSDFHHYPRHVBRG-UHFFFAOYSA-N
Molecular Weight 504.685 g/mol
SMILES c12-c3cc(CS(=O)(=O)Cc4cc(C(C)(C)C)cc(c4)C(C)(C)C)ccc3-c1ccc(c2)C(=O)OCC
SPLASH splash10-0zfr-0090100000-de1f7f94a6ba8c857b93
Source of Spectrum QA-44-219-15
Synonyms Ethyl 7-{[(3,5-ditert-butylbenzyl)sulfonyl]methyl}-2-biphenylenecarboxylate
Wiley ID 862361