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2-Bromobenzoic acid, 2-methoxy-4-bromo-5-(ethoxysulfo)phenyl ester
SpectraBase Compound ID JqqG8bnNdtt
InChI InChI=1S/C16H14Br2O5S/c1-3-22-24(20)15-9-14(13(21-2)8-12(15)18)23-16(19)10-6-4-5-7-11(10)17/h4-9H,3H2,1-2H3
InChIKey FTEFCGKEKASFGT-UHFFFAOYSA-N
Mol Weight 478.15 g/mol
Molecular Formula C16H14Br2O5S
Exact Mass 475.892871 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9kF0SAtp6zO
Name 2-Bromobenzoic acid, 2-methoxy-4-bromo-5-(ethoxysulfo)phenyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14Br2O5S
InChI InChI=1S/C16H14Br2O5S/c1-3-22-24(20)15-9-14(13(21-2)8-12(15)18)23-16(19)10-6-4-5-7-11(10)17/h4-9H,3H2,1-2H3
InChIKey FTEFCGKEKASFGT-UHFFFAOYSA-N
Molecular Weight 478.151 g/mol
SMILES c1(ccccc1Br)C(=O)Oc1cc(c(cc1OC)Br)S(=O)OCC
SPLASH splash10-001r-1910000000-ce6818e27e3ed3188f9b
Source of Spectrum TIPS-2023-53-0
Wiley ID 1884761