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3-(3-Bromo-5-methylphenyl)-2H-thiete 1,1-dioxide
SpectraBase Compound ID 93dgCD0mfc4
InChI InChI=1S/C10H9BrO2S/c1-7-2-8(4-10(11)3-7)9-5-14(12,13)6-9/h2-5H,6H2,1H3
InChIKey KUKNOSZOPCABEA-UHFFFAOYSA-N
Mol Weight 273.14 g/mol
Molecular Formula C10H9BrO2S
Exact Mass 271.950664 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LIEPV9WU1zH
Name 3-(3-Bromo-5-methylphenyl)-2H-thiete 1,1-dioxide
Appearance Colorless solid
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Formula C10H9BrO2S
InChI InChI=1S/C10H9BrO2S/c1-7-2-8(4-10(11)3-7)9-5-14(12,13)6-9/h2-5H,6H2,1H3
InChIKey KUKNOSZOPCABEA-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95Q or Finnigan MAT 90 or JEOL JMS-700
Ionization Type EI
Literature Reference DOI 10.1002/chem.201905751
Molecular Weight 273.144 g/mol
Reported Formula C10H9O2BrS
SMILES c1(cc(cc(c1)Br)C)C=1CS(=O)(=O)C1
SPLASH splash10-004i-0930000000-a5ee236bffa6638ef61c
Source of Spectrum QE-26-SM10-2n
Thin-Layer Chromatography Rf = 0.2 (hexane/EtOAc 9:1, UV, KMnO4)
Wiley ID 1858671