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4-Bromophenyl 1-phenyl-1H-indole-3-sulfonate
SpectraBase Compound ID 3rv1nWrr5LE
InChI InChI=1S/C20H14BrNO3S/c21-15-10-12-17(13-11-15)25-26(23,24)20-14-22(16-6-2-1-3-7-16)19-9-5-4-8-18(19)20/h1-14H
InChIKey KAQGGGJTEULNMK-UHFFFAOYSA-N
Mol Weight 428.3 g/mol
Molecular Formula C20H14BrNO3S
Exact Mass 426.987777 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jv0xzyWWUsf
Name 4-Bromophenyl 1-phenyl-1H-indole-3-sulfonate
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 426.987777486 u
Formula C20H14BrNO3S
InChI InChI=1S/C20H14BrNO3S/c21-15-10-12-17(13-11-15)25-26(23,24)20-14-22(16-6-2-1-3-7-16)19-9-5-4-8-18(19)20/h1-14H
InChIKey KAQGGGJTEULNMK-UHFFFAOYSA-N
Instrument Name Agilent 5975N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201612565
Molecular Weight 428.300 g/mol
Reported Formula C20H14BrNO3S
SMILES C1(S(OC2=CC=C(C=C2)Br)(=O)=O)=CN(C2=C1C=CC=C2)C1=CC=CC=C1
SPLASH splash10-0a4i-0190000000-92146aa261315c2ad087
Source of Spectrum ACI-56-SM35-4l (DOI: 10.1002/anie.201612565)
Wiley ID 1895560