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2-Bromobenzoic acid, 2-methoxy-4-chloro-5-(ethoxysulfo)phenyl ester
SpectraBase Compound ID 6z2IZNadbwb
InChI InChI=1S/C16H14BrClO5S/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 BININAUNHDRZRI-UHFFFAOYSA-N
Mol Weight 433.7 g/mol
Molecular Formula C16H14BrClO5S
Exact Mass 431.943385 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Rxe5aucOu
Name 2-Bromobenzoic acid, 2-methoxy-4-chloro-5-(ethoxysulfo)phenyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14BrClO5S
InChI InChI=1S/C16H14BrClO5S/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 BININAUNHDRZRI-UHFFFAOYSA-N
Molecular Weight 433.700 g/mol
SMILES c1(ccccc1Br)C(=O)Oc1cc(c(cc1OC)Cl)S(=O)OCC
SPLASH splash10-0540-1910000000-f10c7d305c8eb17933a4
Source of Spectrum TIPS-2023-52-0
Wiley ID 1884760