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Undecyl sulfide

View entire compound with spectra: 2 NMR, 1 FTIR, and 2 MS (GC)

Undecyl sulfide
SpectraBase Compound ID CX36nLz7Czu
InChI InChI=1S/C22H46S/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3
InChIKey RDOYGXODZMRGKD-UHFFFAOYSA-N
Mol Weight 342.7 g/mol
Molecular Formula C22H46S
Exact Mass 342.332023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I68LgRoqWuF
Name Undecyl sulfide
Alternate Name(s) 1-(Undecylthio)undecane 1-Undecylsulfanylundecane Diundecyl sulfide
CAS Registry Number 35599-82-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H46S
InChI InChI=1S/C22H46S/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3
InChIKey RDOYGXODZMRGKD-UHFFFAOYSA-N
Molecular Weight 342.670 g/mol
SMILES C(C)CCCCCCCCCSCCCCCCCCCCC
SPLASH splash10-000l-9601000000-d20fb42ca680127eba43
Wiley ID 1495600