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7-Bromo-3-(4-fluorophenyl)-1-(4-toluenesulfonyl)-1H-indole
SpectraBase Compound ID K4xXWBPNed0
InChI InChI=1S/C21H15BrFNO2S/c1-14-5-11-17(12-6-14)27(25,26)24-13-19(15-7-9-16(23)10-8-15)18-3-2-4-20(22)21(18)24/h2-13H,1H3
InChIKey BSWJMMVLEJQDMZ-UHFFFAOYSA-N
Mol Weight 444.32 g/mol
Molecular Formula C21H15BrFNO2S
Exact Mass 442.999091 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6kEW29gqhHd
Name 7-Bromo-3-(4-fluorophenyl)-1-(4-toluenesulfonyl)-1H-indole
Appearance White crystalline solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H15BrFNO2S
InChI InChI=1S/C21H15BrFNO2S/c1-14-5-11-17(12-6-14)27(25,26)24-13-19(15-7-9-16(23)10-8-15)18-3-2-4-20(22)21(18)24/h2-13H,1H3
InChIKey BSWJMMVLEJQDMZ-UHFFFAOYSA-N
Instrument Name ThermoElectron MAT 900
Ionization Type EI positive ion
Literature Reference DOI 10.1002/chem.201602893
Molecular Weight 444.318 g/mol
Reported Formula C21H15O2N(79)BrF(32)S
SMILES C1=CC2=C(C(=C1)Br)N(C=C2C1=CC=C(C=C1)F)S(C1=CC=C(C=C1)C)(=O)=O
SPLASH splash10-000f-0090200000-670fcc26a4debbcf2fae
Source of Spectrum QE-22-SM89-16i (DOI: 10.1002/chem.201602893)
Wiley ID 1905038