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Cyclohexanone, 2-(1,3-dithian-2-ylidene)-5,5-dimethyl-3-thioxo-
SpectraBase Compound ID 2NAuRpNCI0Q
InChI InChI=1S/C12H16OS3/c1-12(2)6-8(13)10(9(14)7-12)11-15-4-3-5-16-11/h3-7H2,1-2H3
InChIKey ARCAQAIEGJWHMR-UHFFFAOYSA-N
Mol Weight 272.44 g/mol
Molecular Formula C12H16OS3
Exact Mass 272.036329 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9FDwerustnn
Name Cyclohexanone, 2-(1,3-dithian-2-ylidene)-5,5-dimethyl-3-thioxo-
Alternate Name(s) 2-(1,3-dithian-2-ylidene)-5,5-dimethyl-3-thioxocyclohexanone 2-(4,4-Dimethyl-2-oxo-6-thioxocyclohexylidene)-1,3-dithiane
CAS Registry Number 117402-16-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16OS3
InChI InChI=1S/C12H16OS3/c1-12(2)6-8(13)10(9(14)7-12)11-15-4-3-5-16-11/h3-7H2,1-2H3
InChIKey ARCAQAIEGJWHMR-UHFFFAOYSA-N
Molecular Weight 272.439 g/mol
SMILES C1(C(CC(CC1=O)(C)C)=S)=C1SCCCS1
SPLASH splash10-0554-9030000000-9dbc0b6b882af717de84
Source of Spectrum KC-1988-2089-2
Wiley ID 1275757