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4,4,4-Trifluoro-1-(3-thienyl)-1,3-butanedione
SpectraBase Compound ID FmW1QLGpsmi
InChI InChI=1S/C8H5F3O2S/c9-8(10,11)7(13)3-6(12)5-1-2-14-4-5/h1-2,4H,3H2
InChIKey FATXXSNVTXITLM-UHFFFAOYSA-N
Mol Weight 222.18 g/mol
Molecular Formula C8H5F3O2S
Exact Mass 221.996235 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID My2TF4prPv
Name 4,4,4-Trifluoro-1-(3-thienyl)-1,3-butanedione
CAS Registry Number 77611-51-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H5F3O2S
InChI InChI=1S/C8H5F3O2S/c9-8(10,11)7(13)3-6(12)5-1-2-14-4-5/h1-2,4H,3H2
InChIKey FATXXSNVTXITLM-UHFFFAOYSA-N
Molecular Weight 222.181 g/mol
SMILES C(C(CC(=O)c1ccsc1)=O)(F)(F)F
SPLASH splash10-0ht9-9530000000-3200648bfdd1fb56d4d1
Source of Spectrum W5-0-0-0
Synonyms 4,4,4-trifluoro-1-(3-thienyl)butane-1,3-dione 4,4,4-trifluoro-1-(3-thiophenyl)butane-1,3-dione 4,4,4-trifluoro-1-thiophen-3-ylbutane-1,3-dione 4,4,4-tris(fluoranyl)-1-thiophen-3-yl-butane-1,3-dione
Wiley ID 1221700