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2-Fluorobenzoic acid, 2-methoxy-4-bromo-5-(ethoxysulfo)phenyl ester
SpectraBase Compound ID 3CppdnAcALC
InChI InChI=1S/C16H14BrFO5S/c1-3-22-24(20)15-9-14(13(21-2)8-11(15)17)23-16(19)10-6-4-5-7-12(10)18/h4-9H,3H2,1-2H3
InChIKey YUWSNRSZESBIRB-UHFFFAOYSA-N
Mol Weight 417.25 g/mol
Molecular Formula C16H14BrFO5S
Exact Mass 415.972936 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BRlvXxgqIrO
Name 2-Fluorobenzoic acid, 2-methoxy-4-bromo-5-(ethoxysulfo)phenyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14BrFO5S
InChI InChI=1S/C16H14BrFO5S/c1-3-22-24(20)15-9-14(13(21-2)8-11(15)17)23-16(19)10-6-4-5-7-12(10)18/h4-9H,3H2,1-2H3
InChIKey YUWSNRSZESBIRB-UHFFFAOYSA-N
Molecular Weight 417.245 g/mol
SMILES c1(ccccc1F)C(=O)Oc1c(cc(c(c1)S(=O)OCC)Br)OC
SPLASH splash10-00di-2910000000-524f8b823c255e9728dd
Source of Spectrum TIPS-2023-68-0
Wiley ID 1884776