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 Google Search
Mol Weight	504.7 g/mol
Molecular Formula	C31H36O4S
Exact Mass	504.233431 g/mol

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SpectraBase Spectrum ID	3jeevjB9TbE
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	c1c-2c(-c3c2cc(CS(Cc2cc(cc(c2)C(C)(C)C)C(C)(C)C)(=O)=O)cc3)ccc1C(OCC)=O
SPLASH	splash10-000i-0090000000-9c911d73fdcb7c055bb4
Source of Spectrum	QA-44-219-15
Synonyms	Ethyl 7-(((3,5-di-tert-butylbenzyl)sulfonyl)methyl)biphenylene-2-carboxylate
Wiley ID	1795058