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2-(naphthalen-2-yl)-2-(((trifluoromethyl)thio)methyl)cyclopentan-1-one
SpectraBase Compound ID CofNNfpAYZo
InChI InChI=1S/C17H15F3OS/c18-17(19,20)22-11-16(9-3-6-15(16)21)14-8-7-12-4-1-2-5-13(12)10-14/h1-2,4-5,7-8,10H,3,6,9,11H2
InChIKey CMBWFZVNFGLKOW-UHFFFAOYSA-N
Mol Weight 324.36 g/mol
Molecular Formula C17H15F3OS
Exact Mass 324.079571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 57O0a7X3nk
Name 2-(naphthalen-2-yl)-2-(((trifluoromethyl)thio)methyl)cyclopentan-1-one
Appearance Yellow liquid
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Exact Mass 324.079570765 u
Formula C17H15F3OS
GC Column HP-5MS (30 m x 0.25 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 320oC
InChI InChI=1S/C17H15F3OS/c18-17(19,20)22-11-16(9-3-6-15(16)21)14-8-7-12-4-1-2-5-13(12)10-14/h1-2,4-5,7-8,10H,3,6,9,11H2
InChIKey CMBWFZVNFGLKOW-UHFFFAOYSA-N
Instrument Name Agilent Technologies 7890A-5975C VL or Agilent 5975
Ionization Type EI
Literature Reference DOI 10.1002/chem.201600190
Molecular Weight 324.361 g/mol
Quality 19
Reported Formula C17H15OSF3
SMILES C1(=CC=C2C(=C1)C=CC=C2)C1(C(CCC1)=O)CSC(F)(F)F
SPLASH splash10-01b9-0935000000-1b697e77270029b731a5
Source of Spectrum QE-22-SM30-7h (DOI: 10.1002/chem.201600190)
Thin-Layer Chromatography 0.23 (DCM/n-pentane, 30%)
Wiley ID 1903060