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Phenyl (1,1,1,7-tetrachloroheptan-3-yl)sulfane
SpectraBase Compound ID HMDLtX2CmZx
InChI InChI=1S/C13H16Cl4S/c14-9-5-4-8-12(10-13(15,16)17)18-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2
InChIKey UXTXDNGEPHBBEX-UHFFFAOYSA-N
Mol Weight 346.1 g/mol
Molecular Formula C13H16Cl4S
Exact Mass 343.972682 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID COrUOOoAZaU
Name Phenyl (1,1,1,7-tetrachloroheptan-3-yl)sulfane
Appearance Colorless oil
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Formula C13H16Cl4S
InChI InChI=1S/C13H16Cl4S/c14-9-5-4-8-12(10-13(15,16)17)18-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2
InChIKey UXTXDNGEPHBBEX-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202000657
Molecular Weight 346.143 g/mol
Reported Formula C13H16Cl4S
SMILES C(CCl)CCC(CC(Cl)(Cl)Cl)Sc1ccccc1
SPLASH splash10-03di-1901000000-125cb3ade7130f2862d0
Source of Spectrum ASC-362-SM9-3b
Wiley ID 1855529