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4-Methyl-4-(tetradecylthio)pentan-2-one
SpectraBase Compound ID 878e86FHqOk
InChI InChI=1S/C20H40OS/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-22-20(3,4)18-19(2)21/h5-18H2,1-4H3
InChIKey RBFYSUKJVKQLAO-UHFFFAOYSA-N
Mol Weight 328.6 g/mol
Molecular Formula C20H40OS
Exact Mass 328.279987 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E23nL9WA4Ld
Name 4-Methyl-4-(tetradecylthio)pentan-2-one
Appearance Colorless liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H40OS
InChI InChI=1S/C20H40OS/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-22-20(3,4)18-19(2)21/h5-18H2,1-4H3
InChIKey RBFYSUKJVKQLAO-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 328.599 g/mol
SMILES C(SCCCCCCCCCCCCCC)(CC(C)=O)(C)C
SPLASH splash10-0006-9000000000-3a2723a42c346ce72c30
Source of Spectrum EP3533786A1
Wiley ID 1874964