[4]Staffane-3,3"'-dicarboxylic acid

SpectraBase Compound ID	s891EJ9AuM
InChI	InChI=1S/C22H26O4/c23-13(24)15-1-17(2-15,3-15)19-7-21(8-19,9-19)22-10-20(11-22,12-22)18-4-16(5-18,6-18)14(25)26/h1-12H2,(H,23,24)(H,25,26)
InChIKey	WEPXXWRJQFAKOR-UHFFFAOYSA-N Google Search
Mol Weight	354.45 g/mol
Molecular Formula	C22H26O4
Exact Mass	354.183109 g/mol

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SpectraBase Spectrum ID	K45Dhibewuc
Name	[4]Staffane-3,3"'-dicarboxylic acid
Alternate Name(s)	3-[3-(3-{3-carboxybicyclo[1.1.1]pentan-1-yl}bicyclo[1.1.1]pentan-1-yl)bicyclo[1.1.1]pentan-1-yl]bicyclo[1.1.1]pentane-1-carboxylic acid
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C22H26O4
InChI	InChI=1S/C22H26O4/c23-13(24)15-1-17(2-15,3-15)19-7-21(8-19,9-19)22-10-20(11-22,12-22)18-4-16(5-18,6-18)14(25)26/h1-12H2,(H,23,24)(H,25,26)
InChIKey	WEPXXWRJQFAKOR-UHFFFAOYSA-N
Molecular Weight	354.446 g/mol
SMILES	OC(C12CC(C34CC(C56CC(C78CC(C(=O)O)(C8)C7)(C6)C5)(C3)C4)(C1)C2)=O
SPLASH	splash10-066r-1900000000-31f11246661d616fe9c2
Source of Spectrum	C-114-615-4
Wiley ID	1344872