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N-(4-Trifluoromethyl-phenylethynyl)-S,S-methylphenylsulfoximine
SpectraBase Compound ID yiqBX0J4sr
InChI InChI=1S/C16H12F3NOS/c1-22(21,15-5-3-2-4-6-15)20-12-11-13-7-9-14(10-8-13)16(17,18)19/h2-10H,1H3
InChIKey BOGJZFHXQAMJCJ-UHFFFAOYSA-N
Mol Weight 323.33 g/mol
Molecular Formula C16H12F3NOS
Exact Mass 323.05917 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3O8O98OwhE
Name N-(4-Trifluoromethyl-phenylethynyl)-S,S-methylphenylsulfoximine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12F3NOS
InChI InChI=1S/C16H12F3NOS/c1-22(21,15-5-3-2-4-6-15)20-12-11-13-7-9-14(10-8-13)16(17,18)19/h2-10H,1H3
InChIKey BOGJZFHXQAMJCJ-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol4026028
Molecular Weight 323.333 g/mol
SMILES c1cc(C#CN=S(=O)(c2ccccc2)C)ccc1C(F)(F)F
SPLASH splash10-0002-0920000000-60e9a5c8325911a69b13
Source of Spectrum A1-15-5397/SMS4-3f
Wiley ID 1751022