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1-(4-Chlorophenylsulfanyl)-3-isopropoxypropan-2-ol
SpectraBase Compound ID 5YiPPbEkfjD
InChI InChI=1S/C12H17ClO2S/c1-9(2)15-7-11(14)8-16-12-5-3-10(13)4-6-12/h3-6,9,11,14H,7-8H2,1-2H3
InChIKey FNVXMUCBYAVXSX-UHFFFAOYSA-N
Mol Weight 260.78 g/mol
Molecular Formula C12H17ClO2S
Exact Mass 260.063779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5KTFWK9exxj
Name 1-(4-Chlorophenylsulfanyl)-3-isopropoxypropan-2-ol
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17ClO2S
InChI InChI=1S/C12H17ClO2S/c1-9(2)15-7-11(14)8-16-12-5-3-10(13)4-6-12/h3-6,9,11,14H,7-8H2,1-2H3
InChIKey FNVXMUCBYAVXSX-UHFFFAOYSA-N
Instrument Name Fisons 8000
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0006.f10
Molecular Weight 260.779 g/mol
SMILES OC(CSc1ccc(Cl)cc1)COC(C)C
SPLASH splash10-052f-8910000000-295a230ea17a9a6c94f9
Source of Spectrum ARK-2005-72-3cb
Thin-Layer Chromatography Rf = 0.37 (EtOAc/hexane, 2:8)
Wiley ID 1870979