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4-[(4-bromobenzyl)thio]benzoic acid
SpectraBase Compound ID XApA6gR54R
InChI InChI=1S/C14H11BrO2S/c15-12-5-1-10(2-6-12)9-18-13-7-3-11(4-8-13)14(16)17/h1-8H,9H2,(H,16,17)
InChIKey XOFHSDQDHHXXPC-UHFFFAOYSA-N
Mol Weight 323.2 g/mol
Molecular Formula C14H11BrO2S
Exact Mass 321.966314 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1sXLhOSjYG
Name 4-[(4-bromobenzyl)thio]benzoic acid
Alternate Name(s) 4-[(4-bromophenyl)methylsulfanyl]benzoic acid 4-[(4-bromophenyl)methylthio]benzoic acid
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Formula C14H11BrO2S
InChI InChI=1S/C14H11BrO2S/c15-12-5-1-10(2-6-12)9-18-13-7-3-11(4-8-13)14(16)17/h1-8H,9H2,(H,16,17)
InChIKey XOFHSDQDHHXXPC-UHFFFAOYSA-N
Molecular Weight 323.204 g/mol
SMILES OC(c1ccc(cc1)SCc1ccc(cc1)Br)=O
SPLASH splash10-00xr-1902000000-fc4d750a543ee71f59e2
Source of Spectrum F-69-3238-9
Wiley ID 1595003