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6-Methyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-4-(trifluoromethyl)nicotinonitrile
SpectraBase Compound ID ArKVnzLfGAA
InChI InChI=1S/C16H11F3N2OS/c1-10-7-13(16(17,18)19)12(8-20)15(21-10)23-9-14(22)11-5-3-2-4-6-11/h2-7H,9H2,1H3
InChIKey MWPCBJICDKVVBM-UHFFFAOYSA-N
Mol Weight 336.33 g/mol
Molecular Formula C16H11F3N2OS
Exact Mass 336.054419 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H1AZ66DTcSR
Name 6-Methyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-4-(trifluoromethyl)nicotinonitrile
CAS Registry Number 182127-95-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H11F3N2OS
InChI InChI=1S/C16H11F3N2OS/c1-10-7-13(16(17,18)19)12(8-20)15(21-10)23-9-14(22)11-5-3-2-4-6-11/h2-7H,9H2,1H3
InChIKey MWPCBJICDKVVBM-UHFFFAOYSA-N
Molecular Weight 336.332 g/mol
SMILES c1ccc(cc1)C(CSc1nc(cc(c1C#N)C(F)(F)F)C)=O
SPLASH splash10-0a4i-9800000000-04c4fad1353b7a9b1426
Source of Spectrum AD-0-2532-0
Synonyms 6-Methyl-2-(phenacylthio)-4-(trifluoromethyl)-3-pyridinecarbonitrile 6-Methyl-2-(phenacylthio)-4-(trifluoromethyl)nicotinonitrile 6-Methyl-2-phenacylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile Pyridine-3-carbonitrile, 4-trifluoromethyl-6-methyl-2-(2-oxo-2-phenylethylthio)-
Wiley ID 1426167