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

SpectraBase Compound ID	J8UHXJjoUIH
InChI	InChI=1S/C17H20O4/c18-10(19)12-1-14(2-12,3-12)16-7-17(8-16,9-16)15-4-13(5-15,6-15)11(20)21/h1-9H2,(H,18,19)(H,20,21)
InChIKey	NESMOSKJPQBSCA-UHFFFAOYSA-N Google Search
Mol Weight	288.34 g/mol
Molecular Formula	C17H20O4
Exact Mass	288.136159 g/mol

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SpectraBase Spectrum ID	6GE49H32nq1
Name	[3]Staffane-3,3"-dicarboxylic acid
Alternate Name(s)	3-(3-{3-carboxybicyclo[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	C17H20O4
InChI	InChI=1S/C17H20O4/c18-10(19)12-1-14(2-12,3-12)16-7-17(8-16,9-16)15-4-13(5-15,6-15)11(20)21/h1-9H2,(H,18,19)(H,20,21)
InChIKey	NESMOSKJPQBSCA-UHFFFAOYSA-N
Molecular Weight	288.343 g/mol
SMILES	OC(C12CC(C34CC(C56CC(C(=O)O)(C6)C5)(C4)C3)(C1)C2)=O
SPLASH	splash10-05ox-5900000000-1e9919bd297bb56042bf
Source of Spectrum	C-114-615-3
Wiley ID	1291846