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4-Methyl-4-((2-methylundecyl)thio)pentan-2-one

View entire compound with spectra: 1 MS (GC)

4-Methyl-4-((2-methylundecyl)thio)pentan-2-one
SpectraBase Compound ID EYaH39d3HxX
InChI InChI=1S/C18H36OS/c1-6-7-8-9-10-11-12-13-16(2)15-20-18(4,5)14-17(3)19/h16H,6-15H2,1-5H3
InChIKey JPGINFNCKHGURO-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 8V9UlPHYsDT
Name 4-Methyl-4-((2-methylundecyl)thio)pentan-2-one
Appearance Colorless liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H36OS
InChI InChI=1S/C18H36OS/c1-6-7-8-9-10-11-12-13-16(2)15-20-18(4,5)14-17(3)19/h16H,6-15H2,1-5H3
InChIKey JPGINFNCKHGURO-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 300.545 g/mol
SMILES CC(CC(C)(SCC(CCCCCCCCC)C)C)=O
SPLASH splash10-052f-9000000000-d8275e157bd735553ff9
Source of Spectrum EP3533786A1
Wiley ID 1874966