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3,3-Dichloro-4-phenyl-1,5-dithiocan-2-one
SpectraBase Compound ID HwqVPPfADSD
InChI InChI=1S/C12H12Cl2OS2/c13-12(14)10(9-5-2-1-3-6-9)16-7-4-8-17-11(12)15/h1-3,5-6,10H,4,7-8H2
InChIKey OVEFYRNAQAWFFW-UHFFFAOYSA-N
Mol Weight 307.25 g/mol
Molecular Formula C12H12Cl2OS2
Exact Mass 305.970663 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CHp5ZzTWe0P
Name 3,3-Dichloro-4-phenyl-1,5-dithiocan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12Cl2OS2
InChI InChI=1S/C12H12Cl2OS2/c13-12(14)10(9-5-2-1-3-6-9)16-7-4-8-17-11(12)15/h1-3,5-6,10H,4,7-8H2
InChIKey OVEFYRNAQAWFFW-UHFFFAOYSA-N
Molecular Weight 307.253 g/mol
SMILES C1(C(SCCCSC1c1ccccc1)=O)(Cl)Cl
SPLASH splash10-0a4i-1902000000-2e919c5a16a74a22920c
Source of Spectrum SO-0-663-56
Wiley ID 875437