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4-trifluoromethyl-2-(hexylsulfonyl)pyridine
SpectraBase Compound ID 1qccQExJLwQ
InChI InChI=1S/C12H16F3NO2S/c1-2-3-4-5-8-19(17,18)11-9-10(6-7-16-11)12(13,14)15/h6-7,9H,2-5,8H2,1H3
InChIKey QKKHXFBXQURCGI-UHFFFAOYSA-N
Mol Weight 295.32 g/mol
Molecular Formula C12H16F3NO2S
Exact Mass 295.085384 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0BXWI5izjP
Name 4-trifluoromethyl-2-(hexylsulfonyl)pyridine
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 295.085384420 u
Formula C12H16F3NO2S
InChI InChI=1S/C12H16F3NO2S/c1-2-3-4-5-8-19(17,18)11-9-10(6-7-16-11)12(13,14)15/h6-7,9H,2-5,8H2,1H3
InChIKey QKKHXFBXQURCGI-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP2010 Ultra
Ionization Type EI
Literature Reference DOI 10.1002/anie.201702311
Molecular Weight 295.320 g/mol
Quality 160
SMILES C1(=NC=CC(=C1)C(F)(F)F)S(CCCCCC)(=O)=O
SPLASH splash10-0002-3900000000-ce9d08326e2f14baab65
Source of Spectrum ACI-56-SM10-4c (DOI: 10.1002/anie.201702311)
Wiley ID 1895843