5,5'-[(2-Methoxy-p-phenylene)dioxy]bis[2,2-dimethylvaleric acid], dimethyl ester

SpectraBase Compound ID	JS4bR4cTPBE
InChI	InChI=1S/C23H36O7/c1-22(2,20(24)27-6)12-8-14-29-17-10-11-18(19(16-17)26-5)30-15-9-13-23(3,4)21(25)28-7/h10-11,16H,8-9,12-15H2,1-7H3
InChIKey	IPFAQBQEPAFDSA-UHFFFAOYSA-N Google Search
Mol Weight	424.5 g/mol
Molecular Formula	C23H36O7
Exact Mass	424.246103 g/mol

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SpectraBase Spectrum ID	EzE5cP9kVW5
Name	5,5'-[(2-methoxy-p-phenylene)dioxy]bis[2,2-dimethylvaleric acid], dimethyl ester
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	424.246103492 u
Formula	C23H36O7
InChI	InChI=1S/C23H36O7/c1-22(2,20(24)27-6)12-8-14-29-17-10-11-18(19(16-17)26-5)30-15-9-13-23(3,4)21(25)28-7/h10-11,16H,8-9,12-15H2,1-7H3
InChIKey	IPFAQBQEPAFDSA-UHFFFAOYSA-N
Molecular Weight	424.534 g/mol
SMILES	C1=C(C(=CC=C1OCCCC(C(OC)=O)(C)C)OCCCC(C(OC)=O)(C)C)OC
Spectrum/Structure Validation Score (Raman)	0.948294