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Cyclopentanone, 3-[2-(1,3-dithian-2-ylidene)-1-methylpropyl]-2-methyl-2,5-di-2-propen yl-
SpectraBase Compound ID DC4s4iapul9
InChI InChI=1S/C20H30OS2/c1-6-9-16-13-17(20(5,10-7-2)18(16)21)14(3)15(4)19-22-11-8-12-23-19/h6-7,14,16-17H,1-2,8-13H2,3-5H3
InChIKey NMXRXTKXGAVHTG-UHFFFAOYSA-N
Mol Weight 350.58 g/mol
Molecular Formula C20H30OS2
Exact Mass 350.173808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dg0gBx4hlG4
Name Cyclopentanone, 3-[2-(1,3-dithian-2-ylidene)-1-methylpropyl]-2-methyl-2,5-di-2-propen yl-
Alternate Name(s) 1,2-Dithiane, cyclopentanone deriv. 2,5-diallyl-3-[2-(1,3-dithian-2-ylidene)-1-methylpropyl]-2-methylcyclopentanone 3-(3-Dithianylidenyl-2-butyl)-2-methyl-2,5-diisopropenylcyclopentanone
CAS Registry Number 83562-51-0
Comments Less than 3 mono-isotopic peaks
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Formula C20H30OS2
InChI InChI=1S/C20H30OS2/c1-6-9-16-13-17(20(5,10-7-2)18(16)21)14(3)15(4)19-22-11-8-12-23-19/h6-7,14,16-17H,1-2,8-13H2,3-5H3
InChIKey NMXRXTKXGAVHTG-UHFFFAOYSA-N
Molecular Weight 350.579 g/mol
SMILES C1(C(C(=O)C(C1)CC=C)(CC=C)C)C(C(=C1SCCCS1)C)C
SPLASH splash10-00di-0900000000-d68bda308a9f5ca37995
Source of Spectrum C-104-7178-0
Wiley ID 1341993