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2-Butanone, 1-[2-(1-methylethyl)-1,3-dithian-2-yl]-
SpectraBase Compound ID 2JdA9QBA1kg
InChI InChI=1S/C11H20OS2/c1-4-10(12)8-11(9(2)3)13-6-5-7-14-11/h9H,4-8H2,1-3H3
InChIKey FQFHBWVOPDFBDU-UHFFFAOYSA-N
Mol Weight 232.4 g/mol
Molecular Formula C11H20OS2
Exact Mass 232.095558 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CDiiaFvrCcu
Name 2-Butanone, 1-[2-(1-methylethyl)-1,3-dithian-2-yl]-
Alternate Name(s) (2S*,4R*)-2,4-dimethyl-5,5-(propane-1',3'-dithio)-pentan-1-ol 1-(2-isopropyl-1,3-dithian-2-yl)-2-butanone 5,5-(propane-1',3'-dithio)-6-methylheptan-3-one
CAS Registry Number 117365-71-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H20OS2
InChI InChI=1S/C11H20OS2/c1-4-10(12)8-11(9(2)3)13-6-5-7-14-11/h9H,4-8H2,1-3H3
InChIKey FQFHBWVOPDFBDU-UHFFFAOYSA-N
Molecular Weight 232.400 g/mol
SMILES C1(CC(=O)CC)(SCCCS1)C(C)C
SPLASH splash10-0a70-9510000000-1e0c890a431ebbf5fe05
Source of Spectrum I-66-1361-4
Wiley ID 1233473