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Octadecanol p-Toluenesulfinate

View entire compound with spectra: 1 MS (GC)

Octadecanol p-Toluenesulfinate
SpectraBase Compound ID Bi0FMxOPOLz
InChI InChI=1S/C25H44O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-27-28(26)25-21-19-24(2)20-22-25/h19-22H,3-18,23H2,1-2H3
InChIKey XLIILWAILSWSMT-UHFFFAOYSA-N
Mol Weight 408.7 g/mol
Molecular Formula C25H44O2S
Exact Mass 408.306202 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID kKoyRleq9m
Name Octadecanol p-Toluenesulfinate
Alternate Name(s) Octadecyl 4-methylbenzenesulfinate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H44O2S
InChI InChI=1S/C25H44O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-27-28(26)25-21-19-24(2)20-22-25/h19-22H,3-18,23H2,1-2H3
InChIKey XLIILWAILSWSMT-UHFFFAOYSA-N
Molecular Weight 408.685 g/mol
SMILES c1(S(=O)OCCCCCCCCCCCCCCCCCC)ccc(cc1)C
SPLASH splash10-0a4i-0900000000-b078333f270160aed833
Source of Spectrum F-47-9174-4
Wiley ID 1373104