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Octadecyl 4-methylbenzenesulfonate
SpectraBase Compound ID GRlY4fpV4zQ
InChI InChI=1S/C25H44O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-28-29(26,27)25-21-19-24(2)20-22-25/h19-22H,3-18,23H2,1-2H3
InChIKey IZSBVVGANRHKEE-UHFFFAOYSA-N
Mol Weight 424.7 g/mol
Molecular Formula C25H44O3S
Exact Mass 424.301116 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GltD6cHXnTp
Name Octadecyl 4-methylbenzenesulfonate
Alternate Name(s) 4-Methylbenzenesulfonic acid octadecyl ester 4-Methylbenzenesulfonic acid stearyl ester Benzenesulfonic acid, 4-methyl-, octadecyl ester
CAS Registry Number 3386-32-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H44O3S
InChI InChI=1S/C25H44O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-28-29(26,27)25-21-19-24(2)20-22-25/h19-22H,3-18,23H2,1-2H3
InChIKey IZSBVVGANRHKEE-UHFFFAOYSA-N
Molecular Weight 424.684 g/mol
SMILES c1(S(=O)(=O)OCCCCCCCCCCCCCCCCCC)ccc(C)cc1
SPLASH splash10-0596-9500000000-1f1c33089c3a82f404e7
Wiley ID 1502321