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3-Buten-2-one, 1,1,1-trifluoro-4-mercapto-4-(4-methylphenyl)-
SpectraBase Compound ID EzGlfQpTKUq
InChI InChI=1S/C11H9F3OS/c1-7-2-4-8(5-3-7)9(16)6-10(15)11(12,13)14/h2-6,16H,1H3/b9-6-
InChIKey DCNCJPANJBEGQC-TWGQIWQCSA-N
Mol Weight 246.25 g/mol
Molecular Formula C11H9F3OS
Exact Mass 246.032621 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7kTJ3eWpP2P
Name 3-Buten-2-one, 1,1,1-trifluoro-4-mercapto-4-(4-methylphenyl)-
CAS Registry Number 55674-02-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H9F3OS
InChI InChI=1S/C11H9F3OS/c1-7-2-4-8(5-3-7)9(16)6-10(15)11(12,13)14/h2-6,16H,1H3/b9-6-
InChIKey DCNCJPANJBEGQC-TWGQIWQCSA-N
Molecular Weight 246.247 g/mol
SMILES S\C(c1ccc(C)cc1)=C/C(=O)C(F)(F)F
SPLASH splash10-002k-2950000000-aeb251384005aee8f245
Source of Spectrum W5-21410-0-0
Synonyms (3Z)-1,1,1-Trifluoro-4-(4-methylphenyl)-4-sulfanyl-3-buten-2-one (Z)-1,1,1-trifluoro-4-(4-methylphenyl)-4-sulfanylbut-3-en-2-one (Z)-1,1,1-trifluoro-4-(p-tolyl)-4-sulfanyl-but-3-en-2-one (Z)-1,1,1-trifluoro-4-mercapto-4-(4-methylphenyl)-3-buten-2-one (Z)-1,1,1-trifluoro-4-mercapto-4-(p-tolyl)but-3-en-2-one (Z)-1,1,1-tris(fluoranyl)-4-(4-methylphenyl)-4-sulfanyl-but-3-en-2-one 1,1,1-Trifluoro-4-mercapto-4-(4-methylphenyl)-3-buten-2-one
Wiley ID 1248516