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2-(2-Ethynyl-4-methoxyphenoxy)ethyl4-bromobenzenesulfonate
SpectraBase Compound ID Flj9QZf1m9s
InChI InChI=1S/C17H15BrO5S/c1-3-13-12-15(21-2)6-9-17(13)22-10-11-23-24(19,20)16-7-4-14(18)5-8-16/h1,4-9,12H,10-11H2,2H3
InChIKey PRFWLNHBOMXEIN-UHFFFAOYSA-N
Mol Weight 411.27 g/mol
Molecular Formula C17H15BrO5S
Exact Mass 409.982358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HbqLnHO8lrY
Name 2-(2-Ethynyl-4-methoxyphenoxy)ethyl4-bromobenzenesulfonate
Alternate Name(s) 2-(2-Ethynyl-4-methoxyphenoxy)ethyl 4-bromobenzenesulfonate
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Formula C17H15BrO5S
InChI InChI=1S/C17H15BrO5S/c1-3-13-12-15(21-2)6-9-17(13)22-10-11-23-24(19,20)16-7-4-14(18)5-8-16/h1,4-9,12H,10-11H2,2H3
InChIKey PRFWLNHBOMXEIN-UHFFFAOYSA-N
Molecular Weight 411.266 g/mol
SMILES c1cc(OCCOS(c2ccc(cc2)Br)(=O)=O)c(cc1OC)C#C
SPLASH splash10-03xr-0290400000-5d0f251e93bf056c15fb
Source of Spectrum ACI-53-SMS42-1s
Wiley ID 1782106