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1-(4-Fluorophenylthio)octan-2-ol
SpectraBase Compound ID 6GpgeTl1AhR
InChI InChI=1S/C14H21FOS/c1-2-3-4-5-6-13(16)11-17-14-9-7-12(15)8-10-14/h7-10,13,16H,2-6,11H2,1H3
InChIKey NYABYEZEJAYCFN-UHFFFAOYSA-N
Mol Weight 256.38 g/mol
Molecular Formula C14H21FOS
Exact Mass 256.129715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jd36VVeGEGA
Name 1-(4-Fluorophenylthio)octan-2-ol
Alternate Name(s) 1-[(4-fluorophenyl)thio]-2-octanol 1-(4-fluorophenyl)sulfanyloctan-2-ol
Comments Less than 3 mono-isotopic peaks
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Formula C14H21FOS
InChI InChI=1S/C14H21FOS/c1-2-3-4-5-6-13(16)11-17-14-9-7-12(15)8-10-14/h7-10,13,16H,2-6,11H2,1H3
InChIKey NYABYEZEJAYCFN-UHFFFAOYSA-N
Molecular Weight 256.379 g/mol
SMILES OC(CSc1ccc(cc1)F)CCCCCC
SPLASH splash10-0006-0930000000-57c6b19175b842f2b4b3
Source of Spectrum F-65-5243-3z
Wiley ID 1679975