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4-(Dodecylthio)-4-methylpentan-2-one
SpectraBase Compound ID CJYhdIh1ecj
InChI InChI=1S/C18H36OS/c1-5-6-7-8-9-10-11-12-13-14-15-20-18(3,4)16-17(2)19/h5-16H2,1-4H3
InChIKey MKOKMEBMDFZFSA-UHFFFAOYSA-N
Mol Weight 300.5 g/mol
Molecular Formula C18H36OS
Exact Mass 300.248687 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FAlKu7QLBWb
Name 4-(Dodecylthio)-4-methylpentan-2-one
Appearance Yellow liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H36OS
InChI InChI=1S/C18H36OS/c1-5-6-7-8-9-10-11-12-13-14-15-20-18(3,4)16-17(2)19/h5-16H2,1-4H3
InChIKey MKOKMEBMDFZFSA-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 300.545 g/mol
SMILES CC(CC(C)(C)SCCCCCCCCCCCC)=O
SPLASH splash10-052f-9000000000-fa9a36036f10f4252266
Source of Spectrum EP3533786A1
Wiley ID 1874965