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2-(2-Ethynyl-4-methylphenoxy)ethyl4-bromobenzenesulfonate
SpectraBase Compound ID GreKFbJ7HES
InChI InChI=1S/C17H15BrO4S/c1-3-14-12-13(2)4-9-17(14)21-10-11-22-23(19,20)16-7-5-15(18)6-8-16/h1,4-9,12H,10-11H2,2H3
InChIKey HSQHBLPGNJXZLE-UHFFFAOYSA-N
Mol Weight 395.27 g/mol
Molecular Formula C17H15BrO4S
Exact Mass 393.987443 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BNOOVb0dcXO
Name 2-(2-Ethynyl-4-methylphenoxy)ethyl4-bromobenzenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H15BrO4S
InChI InChI=1S/C17H15BrO4S/c1-3-14-12-13(2)4-9-17(14)21-10-11-22-23(19,20)16-7-5-15(18)6-8-16/h1,4-9,12H,10-11H2,2H3
InChIKey HSQHBLPGNJXZLE-UHFFFAOYSA-N
Literature Reference DOI 10.1002/anie.201310280
Molecular Weight 395.267 g/mol
SMILES c1cc(OCCOS(c2ccc(cc2)Br)(=O)=O)c(cc1C)C#C
SPLASH splash10-02t9-0194000000-7825fefac9406a632c1e
Source of Spectrum ACI-53-SMS37-1q
Synonyms 2-(2-Ethynyl-4-methylphenoxy)ethyl 4-bromobenzenesulfonate
Wiley ID 1782104