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3-Bromothioanisole
SpectraBase Compound ID EOes7u5Lmhp
InChI InChI=1S/C7H7BrS/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3
InChIKey NKYFJZAKUPSUSH-UHFFFAOYSA-N
Mol Weight 203.1 g/mol
Molecular Formula C7H7BrS
Exact Mass 201.945184 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gkgpn4Do2jR
Name 3-Bromo-1-(methylthio)benzene
Comments Less than 3 mono-isotopic peaks
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Formula C7H7BrS
InChI InChI=1S/C7H7BrS/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3
InChIKey NKYFJZAKUPSUSH-UHFFFAOYSA-N
Molecular Weight 203.097 g/mol
SMILES c1c(SC)cccc1Br
SPLASH splash10-0udi-0090000000-56bfa61965b400ae2478
Source of Spectrum C-124-1896-1
Synonyms 3-Bromo-thioanisole 1-bromo-3-methylsulfanylbenzene 1-bromo-3-methylsulfanyl-benzene 1-bromanyl-3-methylsulfanyl-benzene
Wiley ID 1701047