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(4-bromanyl-2-methanoyl-phenyl) 4-methylbenzenesulfonate
SpectraBase Compound ID AB9jm1kTfvm
InChI InChI=1S/C14H11BrO4S/c1-10-2-5-13(6-3-10)20(17,18)19-14-7-4-12(15)8-11(14)9-16/h2-9H,1H3
InChIKey AGNPYJFZUSTRLT-UHFFFAOYSA-N
Mol Weight 355.2 g/mol
Molecular Formula C14H11BrO4S
Exact Mass 353.956143 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GnZ4PEfL4Nq
Name (4-bromanyl-2-methanoyl-phenyl) 4-methylbenzenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H11BrO4S
InChI InChI=1S/C14H11BrO4S/c1-10-2-5-13(6-3-10)20(17,18)19-14-7-4-12(15)8-11(14)9-16/h2-9H,1H3
InChIKey AGNPYJFZUSTRLT-UHFFFAOYSA-N
Molecular Weight 355.202 g/mol
SMILES c1(OS(c2ccc(cc2)C)(=O)=O)c(cc(cc1)Br)C=O
SPLASH splash10-052f-9501000000-e35bb7b38e66f41d6c45
Source of Spectrum QC-10-4491-4
Synonyms (4-bromo-2-formyl-phenyl) 4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid (4-bromo-2-formyl-phenyl) ester 4-Methylbenzenesulfonic acid (4-bromo-2-formylphenyl) ester
Wiley ID 871780