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1-[2-(Mercaptomethyl)phenyl]-2-phenyl-2-propanol
SpectraBase Compound ID 3XExBWua779
InChI InChI=1S/C16H18OS/c1-16(17,15-9-3-2-4-10-15)11-13-7-5-6-8-14(13)12-18/h2-10,17-18H,11-12H2,1H3
InChIKey HMJGGDZDRCYWLN-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 LqgF2g9ggjc
Name 1-[2-(Mercaptomethyl)phenyl]-2-phenyl-2-propanol
Alternate Name(s) 2-phenyl-1-[2-(sulfanylmethyl)phenyl]propan-2-ol
Comments Removed - expert review: contamination (acetone))
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Formula C16H18OS
InChI InChI=1S/C16H18OS/c1-16(17,15-9-3-2-4-10-15)11-13-7-5-6-8-14(13)12-18/h2-10,17-18H,11-12H2,1H3
InChIKey HMJGGDZDRCYWLN-UHFFFAOYSA-N
Molecular Weight 258.379 g/mol
SMILES SCc1c(CC(c2ccccc2)(O)C)cccc1
SPLASH splash10-0006-9000000000-829106ebd233cd5b6454
Source of Spectrum J-61-1861-3
Wiley ID 1262011