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Phenyl(4,4,4-trichloro-1-phenoxybutan-2-yl)sulfane
SpectraBase Compound ID 6akywuNT33v
InChI InChI=1S/C16H15Cl3OS/c17-16(18,19)11-15(21-14-9-5-2-6-10-14)12-20-13-7-3-1-4-8-13/h1-10,15H,11-12H2
InChIKey ZSSUBSRKRIUEOI-UHFFFAOYSA-N
Mol Weight 361.71 g/mol
Molecular Formula C16H15Cl3OS
Exact Mass 359.990919 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LcgVniDahE1
Name Phenyl(4,4,4-trichloro-1-phenoxybutan-2-yl)sulfane
Appearance Pale yellow solid
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Formula C16H15Cl3OS
InChI InChI=1S/C16H15Cl3OS/c17-16(18,19)11-15(21-14-9-5-2-6-10-14)12-20-13-7-3-1-4-8-13/h1-10,15H,11-12H2
InChIKey ZSSUBSRKRIUEOI-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202000657
Molecular Weight 361.714 g/mol
Reported Formula C16H15Cl3OS
SMILES C(Oc1ccccc1)C(CC(Cl)(Cl)Cl)Sc1ccccc1
SPLASH splash10-0609-2910000000-947248c8a17857245cc3
Source of Spectrum ASC-362-SM9-3d
Wiley ID 1855531