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Phenyl (1,1,1-trichlorononan-3-yl)sulfane
SpectraBase Compound ID 226apvLsi4N
InChI InChI=1S/C15H21Cl3S/c1-2-3-4-6-11-14(12-15(16,17)18)19-13-9-7-5-8-10-13/h5,7-10,14H,2-4,6,11-12H2,1H3
InChIKey BDYJGOSMPWWOLP-UHFFFAOYSA-N
Mol Weight 339.75 g/mol
Molecular Formula C15H21Cl3S
Exact Mass 338.042955 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ckk6FNyAG6L
Name Phenyl (1,1,1-trichlorononan-3-yl)sulfane
Appearance Colorless oil
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Formula C15H21Cl3S
InChI InChI=1S/C15H21Cl3S/c1-2-3-4-6-11-14(12-15(16,17)18)19-13-9-7-5-8-10-13/h5,7-10,14H,2-4,6,11-12H2,1H3
InChIKey BDYJGOSMPWWOLP-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202000657
Molecular Weight 339.752 g/mol
Reported Formula C15H21Cl3S
SMILES C(CC(CCCCCC)Sc1ccccc1)(Cl)(Cl)Cl
SPLASH splash10-03di-1900000000-fecb1c6f54ec1e3cd21b
Source of Spectrum ASC-362-SM8-3a
Wiley ID 1855528