4-heptylundecanoic acid, 3-sulfopropyl ester, sodium salt

SpectraBase Compound ID	8tQ1F0CFuNK
InChI	InChI=1S/C21H42O5S.Na/c1-3-5-7-9-11-14-20(15-12-10-8-6-4-2)16-17-21(22)26-18-13-19-27(23,24)25;/h20H,3-19H2,1-2H3,(H,23,24,25);/q;+1/p-1
InChIKey	XYIAVNNCQWWAAG-UHFFFAOYSA-M Google Search
Mol Weight	428.6 g/mol
Molecular Formula	C21H41NaO5S
Exact Mass	428.25724 g/mol

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SpectraBase Spectrum ID	KtxDrjcDMuV
Name	4-HEPTYLUNDECANOIC ACID, 3-SULFOPROPYL ESTER, SODIUM SALT
Source of Sample	Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Catalog Number	S63313
Copyright	Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H41NaO5S
InChI	InChI=1S/C21H42O5S.Na/c1-3-5-7-9-11-14-20(15-12-10-8-6-4-2)16-17-21(22)26-18-13-19-27(23,24)25;/h20H,3-19H2,1-2H3,(H,23,24,25);/q;+1/p-1
InChIKey	XYIAVNNCQWWAAG-UHFFFAOYSA-M
Molecular Weight	428.604004
Synonyms	UNDECANOIC ACID, 4-HEPTYL-, 3-SULFOPROPYL ESTER, SODIUM SALT
Technique	FILM (CAST FROM CHCl3)