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2-[(4'-Trifluoromethyl)phenyl]-5-acetyl-4-[hexylethynyl]thiazole
SpectraBase Compound ID IUYRrh1lRlK
InChI InChI=1S/C20H20F3NOS/c1-3-4-5-6-7-8-9-17-18(14(2)25)26-19(24-17)15-10-12-16(13-11-15)20(21,22)23/h10-13H,3-7H2,1-2H3
InChIKey NBNGESNMHXFCPZ-UHFFFAOYSA-N
Mol Weight 379.44 g/mol
Molecular Formula C20H20F3NOS
Exact Mass 379.12177 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 33wC9zqEQzK
Name 2-[(4'-Trifluoromethyl)phenyl]-5-acetyl-4-[hexylethynyl]thiazole
Alternate Name(s) 1-{4-(1-octynyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20F3NOS
InChI InChI=1S/C20H20F3NOS/c1-3-4-5-6-7-8-9-17-18(14(2)25)26-19(24-17)15-10-12-16(13-11-15)20(21,22)23/h10-13H,3-7H2,1-2H3
InChIKey NBNGESNMHXFCPZ-UHFFFAOYSA-N
Molecular Weight 379.441 g/mol
SMILES c1(sc(-c2ccc(C(F)(F)F)cc2)nc1C#CCCCCCC)C(=O)C
SPLASH splash10-0ab9-0009000000-12611cd81e568b5d4e16
Source of Spectrum U1-1999-3122-3
Wiley ID 753357