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1-DODECANOL, 4-METHYL-, 4-METHYLBENZENESULFONATE
SpectraBase Compound ID LGPHAhfZYDj
InChI InChI=1S/C20H34O3S/c1-4-5-6-7-8-9-11-18(2)12-10-17-23-24(21,22)20-15-13-19(3)14-16-20/h13-16,18H,4-12,17H2,1-3H3
InChIKey ZLHHTCPIRXBZBL-UHFFFAOYSA-N
Mol Weight 354.5 g/mol
Molecular Formula C20H34O3S
Exact Mass 354.222866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CarIzBQJEYD
Name 4-Methyldodecyl 4-methylbenzenesulfonate
Alternate Name(s) 1-Dodecanol, 4-methyl-, 4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid 4-methyldodecyl ester
CAS Registry Number 120152-13-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H34O3S
InChI InChI=1S/C20H34O3S/c1-4-5-6-7-8-9-11-18(2)12-10-17-23-24(21,22)20-15-13-19(3)14-16-20/h13-16,18H,4-12,17H2,1-3H3
InChIKey ZLHHTCPIRXBZBL-UHFFFAOYSA-N
Molecular Weight 354.549 g/mol
SMILES Cc1ccc(cc1)S(=O)(=O)OCCCC(C)CCCCCCCC
SPLASH splash10-0l6r-9500000000-cda62c0c7343811d40fe
Wiley ID 1486342