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(3E)-1,1,1-trifluoro-3-[(methylthio)-phenylmethylidene]-2-pentanone
SpectraBase Compound ID E0TrfUgtSXf
InChI InChI=1S/C13H13F3OS/c1-3-10(12(17)13(14,15)16)11(18-2)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3/b11-10+
InChIKey BYBFZOKIMAEEFZ-ZHACJKMWSA-N
Mol Weight 274.3 g/mol
Molecular Formula C13H13F3OS
Exact Mass 274.063921 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6P351lYIDOw
Name (3E)-1,1,1-trifluoro-3-[(methylthio)-phenylmethylidene]-2-pentanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13F3OS
InChI InChI=1S/C13H13F3OS/c1-3-10(12(17)13(14,15)16)11(18-2)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3/b11-10+
InChIKey BYBFZOKIMAEEFZ-ZHACJKMWSA-N
Molecular Weight 274.301 g/mol
SMILES C(\C(=C/(c1ccccc1)SC)CC)(C(F)(F)F)=O
SPLASH splash10-056r-1690000000-da60b4b7fa24d55a3b6e
Source of Spectrum F-50-12412-9
Synonyms (3E)-1,1,1-trifluoro-3-[methylsulfanyl(phenyl)methylene]pentan-2-one (3E)-1,1,1-trifluoro-3-[methylsulfanyl(phenyl)methylidene]pentan-2-one (3E)-1,1,1-tris(fluoranyl)-3-[methylsulfanyl(phenyl)methylidene]pentan-2-one (E)-3-ethyl-1,1,1-trifluoro-4-(methylthio)-4-phenyl-but-3-en-2-one
Wiley ID 789785