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Phenyl 5-bromo-1-phenyl-1H-indole-3-sulfonate
SpectraBase Compound ID 6NOwhSINegA
InChI InChI=1S/C20H14BrNO3S/c21-15-11-12-19-18(13-15)20(14-22(19)16-7-3-1-4-8-16)26(23,24)25-17-9-5-2-6-10-17/h1-14H
InChIKey NJOPEKBLLCNBGZ-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 JOwEkWNpYJN
Name Phenyl 5-bromo-1-phenyl-1H-indole-3-sulfonate
Appearance White solid
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Exact Mass 426.987777486 u
Formula C20H14BrNO3S
InChI InChI=1S/C20H14BrNO3S/c21-15-11-12-19-18(13-15)20(14-22(19)16-7-3-1-4-8-16)26(23,24)25-17-9-5-2-6-10-17/h1-14H
InChIKey NJOPEKBLLCNBGZ-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=CC=C2)(=O)=O)=CN(C2=C1C=C(C=C2)Br)C1=CC=CC=C1
SPLASH splash10-000l-0957500000-0a9b5bec690c1619e860
Source of Spectrum ACI-56-SM33-4g (DOI: 10.1002/anie.201612565)
Wiley ID 1895555