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4-phenyl-4-(phenylthio)butan-1-o
SpectraBase Compound ID FTQl2iEQb25
InChI InChI=1S/C16H18OS/c17-13-7-12-16(14-8-3-1-4-9-14)18-15-10-5-2-6-11-15/h1-6,8-11,16-17H,7,12-13H2
InChIKey NKSOARFPKMECHN-UHFFFAOYSA-N
Mol Weight 258.38 g/mol
Molecular Formula C16H18OS
Exact Mass 258.107836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E6fCY0R1Szo
Name 4-phenyl-4-(phenylthio)butan-1-o
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 258.107836373 u
Formula C16H18OS
InChI InChI=1S/C16H18OS/c17-13-7-12-16(14-8-3-1-4-9-14)18-15-10-5-2-6-11-15/h1-6,8-11,16-17H,7,12-13H2
InChIKey NKSOARFPKMECHN-UHFFFAOYSA-N
Instrument Name Finnigan MAT95Q or Finnigan MAT90
Ionization Type EI
Literature Reference DOI 10.1002/anie.202203807
Molecular Weight 258.379 g/mol
Quality 74
Reported Formula C16H18OS
SMILES OCCCC(C1=CC=CC=C1)SC1=CC=CC=C1
SPLASH splash10-001i-1900000000-d31bb165e50967fd8188
Source of Spectrum ACI-61-SM71-10an (DOI: 10.1002/anie.202203807)
Wiley ID 1897782