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4,4,4-TRIFLUORO-1-(THIEN-2-YL)-3-(TRIFLUOROMETHYL)-1-BUTANONE
SpectraBase Compound ID lsix0CIxIX
InChI InChI=1S/C9H6F6OS/c10-8(11,12)7(9(13,14)15)4-5(16)6-2-1-3-17-6/h1-3,7H,4H2
InChIKey LJMHKLORCLZURJ-UHFFFAOYSA-N
Mol Weight 276.2 g/mol
Molecular Formula C9H6F6OS
Exact Mass 276.004355 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4HhOnfCBVrP
Name 1-(Thien-2'-yl)-4,4,4-trifluoro-3-(trifluoromethyl)-1-butanone
Alternate Name(s) 4,4,4-trifluoro-1-(2-thienyl)-3-(trifluoromethyl)-1-butanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H6F6OS
InChI InChI=1S/C9H6F6OS/c10-8(11,12)7(9(13,14)15)4-5(16)6-2-1-3-17-6/h1-3,7H,4H2
InChIKey LJMHKLORCLZURJ-UHFFFAOYSA-N
Molecular Weight 276.196 g/mol
SMILES C(C(F)(F)F)(C(F)(F)F)CC(c1sccc1)=O
SPLASH splash10-001r-6290000000-2c345622d5d284160a8f
Source of Spectrum AH-138-232-7
Wiley ID 1612328