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Phenyl(3,3,3-trichloro-1-cyclohexylpropyl)sulfane
SpectraBase Compound ID HKL6XsGbjWL
InChI InChI=1S/C15H19Cl3S/c16-15(17,18)11-14(12-7-3-1-4-8-12)19-13-9-5-2-6-10-13/h2,5-6,9-10,12,14H,1,3-4,7-8,11H2
InChIKey OFTPEFQQOKIGBB-UHFFFAOYSA-N
Mol Weight 337.74 g/mol
Molecular Formula C15H19Cl3S
Exact Mass 336.027305 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HWV57Wy58Nz
Name Phenyl(3,3,3-trichloro-1-cyclohexylpropyl)sulfane
Appearance Colorless oil
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Formula C15H19Cl3S
InChI InChI=1S/C15H19Cl3S/c16-15(17,18)11-14(12-7-3-1-4-8-12)19-13-9-5-2-6-10-13/h2,5-6,9-10,12,14H,1,3-4,7-8,11H2
InChIKey OFTPEFQQOKIGBB-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202000657
Molecular Weight 337.736 g/mol
Reported Formula C15H19Cl3S
SMILES C(Cl)(Cl)(Cl)CC(Sc1ccccc1)C1CCCCC1
SPLASH splash10-03xr-2942000000-25537c34e658e464897c
Source of Spectrum ASC-362-SM11-3g
Wiley ID 1855534