5-{p-[(4-Carboxy-4-methylpentyl)thio]phenoxy}-2,2-dimethylvaleric acid

SpectraBase Compound ID	9BzCKKXW0V6
InChI	InChI=1S/C20H30O5S/c1-19(2,17(21)22)11-5-13-25-15-7-9-16(10-8-15)26-14-6-12-20(3,4)18(23)24/h7-10H,5-6,11-14H2,1-4H3,(H,21,22)(H,23,24)
InChIKey	LJECPQKVJLSBTK-UHFFFAOYSA-N Google Search
Mol Weight	382.52 g/mol
Molecular Formula	C20H30O5S
Exact Mass	382.181395 g/mol

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SpectraBase Spectrum ID	FAHj0LGqwEH
Name	5-{p-[(4-CARBOXY-4-METHYLPENTYL)THIO]PHENOXY}-2,2-DIMETHYLVALERIC ACID
Source of Sample	I. Sircar, Warner-Lambert Company, Ann Arbor, Michigan
Copyright	Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C20H30O5S
InChI	InChI=1S/C20H30O5S/c1-19(2,17(21)22)11-5-13-25-15-7-9-16(10-8-15)26-14-6-12-20(3,4)18(23)24/h7-10H,5-6,11-14H2,1-4H3,(H,21,22)(H,23,24)
InChIKey	LJECPQKVJLSBTK-UHFFFAOYSA-N
Literature Reference	J. MED. CHEM. 26, 1020(1983) Abstract-Chemical Abstracts= 99, 16100(1983)
Molecular Weight	382.515015
Synonyms	VALERIC ACID, 5-/P-//4-CARBOXY- 4-METHYLPENTYL/THIO/PHENOXY/-2,2-DI- METHYL-,
Technique	KBr WAFER