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Ethyl-6,6,6-trichloro-4-(phenylthio)hexanoate
SpectraBase Compound ID CwfIfHktpeu
InChI InChI=1S/C14H17Cl3O2S/c1-2-19-13(18)9-8-12(10-14(15,16)17)20-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3
InChIKey GINLRRAYCIHGOI-UHFFFAOYSA-N
Mol Weight 355.71 g/mol
Molecular Formula C14H17Cl3O2S
Exact Mass 354.001484 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LmOQuE0atqZ
Name Ethyl-6,6,6-trichloro-4-(phenylthio)hexanoate
Appearance Colorless oil
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Formula C14H17Cl3O2S
InChI InChI=1S/C14H17Cl3O2S/c1-2-19-13(18)9-8-12(10-14(15,16)17)20-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3
InChIKey GINLRRAYCIHGOI-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202000657
Molecular Weight 355.707 g/mol
Reported Formula C14H17Cl3O2S
SMILES C(CC(CCC(OCC)=O)Sc1ccccc1)(Cl)(Cl)Cl
SPLASH splash10-0bua-0911000000-89198c0eb7ca7d9e5028
Source of Spectrum ASC-362-SM10-3f
Wiley ID 1855533