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2-(4'-Trifluorophenyl)-5-acetyl-4-[(diethoxymethyl)ethynyl]thiazole
SpectraBase Compound ID 6ZmN5Fcyg4D
InChI InChI=1S/C19H18F3NO3S/c1-4-25-16(26-5-2)11-10-15-17(12(3)24)27-18(23-15)13-6-8-14(9-7-13)19(20,21)22/h6-9,16H,4-5H2,1-3H3
InChIKey WRCYXAZIABHFLW-UHFFFAOYSA-N
Mol Weight 397.41 g/mol
Molecular Formula C19H18F3NO3S
Exact Mass 397.095949 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3v3r3aLjn7o
Name 2-(4'-Trifluorophenyl)-5-acetyl-4-[(diethoxymethyl)ethynyl]thiazole
Alternate Name(s) 1-[4-(3,3-diethoxyprop-1-ynyl)-2-[4-(trifluoromethyl)phenyl]-5-thiazolyl]ethanone 1-[4-(3,3-diethoxyprop-1-ynyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18F3NO3S
InChI InChI=1S/C19H18F3NO3S/c1-4-25-16(26-5-2)11-10-15-17(12(3)24)27-18(23-15)13-6-8-14(9-7-13)19(20,21)22/h6-9,16H,4-5H2,1-3H3
InChIKey WRCYXAZIABHFLW-UHFFFAOYSA-N
Molecular Weight 397.412 g/mol
SMILES c1(sc(-c2ccc(C(F)(F)F)cc2)nc1C#CC(OCC)OCC)C(=O)C
SPLASH splash10-0uka-0029000000-5a1c44f40cdc5eca8c55
Source of Spectrum U1-1999-3122-3
Wiley ID 753358