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5-((Difluoromethyl)thio)pent-1-en-3-one
SpectraBase Compound ID HIuvoGTASYc
InChI InChI=1S/C6H8F2OS/c1-2-5(9)3-4-10-6(7)8/h2,6H,1,3-4H2
InChIKey WDMNCQYEVIICLR-UHFFFAOYSA-N
Mol Weight 166.19 g/mol
Molecular Formula C6H8F2OS
Exact Mass 166.026392 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3D9irBmF9uC
Name 5-((Difluoromethyl)thio)pent-1-en-3-one
Appearance Colorless oil
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Exact Mass 166.026392377 u
Formula C6H8F2OS
InChI InChI=1S/C6H8F2OS/c1-2-5(9)3-4-10-6(7)8/h2,6H,1,3-4H2
InChIKey WDMNCQYEVIICLR-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.202103428
Molecular Weight 166.186 g/mol
Quality 26
Reported Formula C6H8F2OS
SMILES C(F)(F)SCCC(C=C)=O
SPLASH splash10-0a4i-9000000000-6069b457c0c038edb8df
Source of Spectrum QE-27-SM37-4i (DOI: 10.1002/chem.202103428)
Wiley ID 1904317