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6,6,6-Trichloro-4-(phenylthio)hexan-1-ol
SpectraBase Compound ID 2MX1e6y9Kq9
InChI InChI=1S/C12H15Cl3OS/c13-12(14,15)9-11(7-4-8-16)17-10-5-2-1-3-6-10/h1-3,5-6,11,16H,4,7-9H2
InChIKey XIRZJTWCYRTZAL-UHFFFAOYSA-N
Mol Weight 313.67 g/mol
Molecular Formula C12H15Cl3OS
Exact Mass 311.990919 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6dPhzYXNGM2
Name 6,6,6-Trichloro-4-(phenylthio)hexan-1-ol
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15Cl3OS
InChI InChI=1S/C12H15Cl3OS/c13-12(14,15)9-11(7-4-8-16)17-10-5-2-1-3-6-10/h1-3,5-6,11,16H,4,7-9H2
InChIKey XIRZJTWCYRTZAL-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202000657
Molecular Weight 313.670 g/mol
Reported Formula C12H15Cl3OS
SMILES OCCCC(CC(Cl)(Cl)Cl)Sc1ccccc1
SPLASH splash10-03di-3901000000-933946d25008c9dce79d
Source of Spectrum ASC-362-SM10-3e
Wiley ID 1855532