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cis-Phenyl (4-phenyl-1-(2,2,2-trichloroethyl)cyclohexyl)sulfane
SpectraBase Compound ID 5ihHBwW9au4
InChI InChI=1S/C20H21Cl3S/c21-20(22,23)15-19(24-18-9-5-2-6-10-18)13-11-17(12-14-19)16-7-3-1-4-8-16/h1-10,17H,11-15H2/t17-,19+
InChIKey NAOYZPWJTVYXTJ-IZAXUBKRSA-N
Mol Weight 399.81 g/mol
Molecular Formula C20H21Cl3S
Exact Mass 398.042955 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3PbYXeeibw
Name cis-Phenyl (4-phenyl-1-(2,2,2-trichloroethyl)cyclohexyl)sulfane
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21Cl3S
InChI InChI=1S/C20H21Cl3S/c21-20(22,23)15-19(24-18-9-5-2-6-10-18)13-11-17(12-14-19)16-7-3-1-4-8-16/h1-10,17H,11-15H2/t17-,19+
InChIKey NAOYZPWJTVYXTJ-IZAXUBKRSA-N
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202000657
Molecular Weight 399.807 g/mol
SMILES C1C[C@](CC[C@@]1(CC(Cl)(Cl)Cl)Sc1ccccc1)(c1ccccc1)[H]
SPLASH splash10-114l-2930000000-fa2d4cb6d64d5565489e
Source of Spectrum ASC-362-SM13-3k
Wiley ID 1855538