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2-(2-Ethynyl-4-fluorophenoxy)ethyl4-bromobenzenesulfonate
SpectraBase Compound ID GWzbewp65Mx
InChI InChI=1S/C16H12BrFO4S/c1-2-12-11-14(18)5-8-16(12)21-9-10-22-23(19,20)15-6-3-13(17)4-7-15/h1,3-8,11H,9-10H2
InChIKey IPWHOQFCOCHSAO-UHFFFAOYSA-N
Mol Weight 399.23 g/mol
Molecular Formula C16H12BrFO4S
Exact Mass 397.962371 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FpEHweSNTBL
Name 2-(2-Ethynyl-4-fluorophenoxy)ethyl4-bromobenzenesulfonate
Alternate Name(s) 2-(2-Ethynyl-4-fluorophenoxy)ethyl 4-bromobenzenesulfonate
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Formula C16H12BrFO4S
InChI InChI=1S/C16H12BrFO4S/c1-2-12-11-14(18)5-8-16(12)21-9-10-22-23(19,20)15-6-3-13(17)4-7-15/h1,3-8,11H,9-10H2
InChIKey IPWHOQFCOCHSAO-UHFFFAOYSA-N
Molecular Weight 399.230 g/mol
SMILES c1cc(OCCOS(c2ccc(cc2)Br)(=O)=O)c(cc1F)C#C
SPLASH splash10-02t9-0291100000-8da42ae3adebb87817b9
Source of Spectrum ACI-53-SMS40-1r
Wiley ID 1782105