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Methyl 6-(pentafluoro-.lambda.6-sulfanyl)nicotinate
SpectraBase Compound ID DJgmqNgDsbx
InChI InChI=1S/C7H6F5NO2S/c1-15-7(14)5-2-3-6(13-4-5)16(8,9,10,11)12/h2-4H,1H3
InChIKey KVCWDKUEETXTHG-UHFFFAOYSA-N
Mol Weight 263.18 g/mol
Molecular Formula C7H6F5NO2S
Exact Mass 263.00394 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2NaKFGzKroK
Name Methyl 6-(pentafluoro-.lambda.6-sulfanyl)nicotinate
Appearance Colorless needles
Carrier Gas Helium (1.1 mL/min)
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Exact Mass 263.003940424 u
Formula C7H6F5NO2S
GC Column ZB-5 (30m x 0.25 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C7H6F5NO2S/c1-15-7(14)5-2-3-6(13-4-5)16(8,9,10,11)12/h2-4H,1H3
InChIKey KVCWDKUEETXTHG-UHFFFAOYSA-N
Instrument Name Thermo Fischer Trace GC 2000
Ionization Type EI
Literature Reference DOI 10.1002/chem.202100163
Molecular Weight 263.182 g/mol
Quality 833
SMILES C1=C(C=CC(=N1)S(F)(F)(F)(F)F)C(OC)=O
SPLASH splash10-000i-6930000000-5c63dd8977159c9b8f41
Source of Spectrum QE-27-SM3-3 (DOI: 10.1002/chem.202100163)
Thin-Layer Chromatography 0.5 (dichloromethane/n-Pentane, 7:3)
Wiley ID 1904007