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S-methyl 4-bromobenzothioate
SpectraBase Compound ID 67gdmnwn4Ha
InChI InChI=1S/C8H7BrOS/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3
InChIKey REIWMZNDMAMYSD-UHFFFAOYSA-N
Mol Weight 231.11 g/mol
Molecular Formula C8H7BrOS
Exact Mass 229.940099 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CYERdoytO2U
Name S-methyl 4-bromobenzenecarbothioate
Alternate Name(s) 4-Bromobenzenecarbothioic acid S-methyl ester S-methyl 4-bromanylbenzenecarbothioate
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Formula C8H7BrOS
InChI InChI=1S/C8H7BrOS/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3
InChIKey REIWMZNDMAMYSD-UHFFFAOYSA-N
Molecular Weight 231.107 g/mol
SMILES C(c1ccc(cc1)Br)(=O)SC
SPLASH splash10-0udi-6900000000-347625657790330a2f40
Source of Spectrum QF-41-327-7
Wiley ID 832819