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1-Bromo-4-((difluoromethyl)thio)butan-2-one
SpectraBase Compound ID IRbULVdQPdz
InChI InChI=1S/C5H7BrF2OS/c6-3-4(9)1-2-10-5(7)8/h5H,1-3H2
InChIKey XRUJCRWLULJOSG-UHFFFAOYSA-N
Mol Weight 233.07 g/mol
Molecular Formula C5H7BrF2OS
Exact Mass 231.936905 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EpH93QR9RFL
Name 1-Bromo-4-((difluoromethyl)thio)butan-2-one
Appearance Colorless oil
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Exact Mass 231.936905344 u
Formula C5H7BrF2OS
InChI InChI=1S/C5H7BrF2OS/c6-3-4(9)1-2-10-5(7)8/h5H,1-3H2
InChIKey XRUJCRWLULJOSG-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.202103428
Molecular Weight 233.071 g/mol
Quality 20
Reported Formula C5H7BrF2OS
SMILES C(Br)C(CCSC(F)F)=O
SPLASH splash10-000i-0900000000-6ea24dcff456fd7767c7
Source of Spectrum QE-27-SM37-4h (DOI: 10.1002/chem.202103428)
Wiley ID 1904316