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Dodecyl(octan-2-yl)sulfane
SpectraBase Compound ID GVuHr1GZdtY
InChI InChI=1S/C20H42S/c1-4-6-8-10-11-12-13-14-15-17-19-21-20(3)18-16-9-7-5-2/h20H,4-19H2,1-3H3
InChIKey XGCRDLNCLDFVCO-UHFFFAOYSA-N
Mol Weight 314.6 g/mol
Molecular Formula C20H42S
Exact Mass 314.300723 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HChtGn3WR6w
Name Dodecyl(octan-2-yl)sulfane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 314.300722526 u
Formula C20H42S
InChI InChI=1S/C20H42S/c1-4-6-8-10-11-12-13-14-15-17-19-21-20(3)18-16-9-7-5-2/h20H,4-19H2,1-3H3
InChIKey XGCRDLNCLDFVCO-UHFFFAOYSA-N
Instrument Name Thermo DSQII
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201701692
Molecular Weight 314.616 g/mol
Quality 111
SMILES C(CCCCCCCCCCC)SC(C)CCCCCC
SPLASH splash10-014i-9340000000-75a01dcbdfd7157c66d3
Source of Spectrum K1-2018-733-4a (DOI: 10.1002/ejoc.201701692)
Wiley ID 1894444