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5-Bromo-3-(4-fluorophenyl)-1-(4-toluenesulfonyl)-1H-indole
SpectraBase Compound ID 1AARsBATX2y
InChI InChI=1S/C21H15BrFNO2S/c1-14-2-9-18(10-3-14)27(25,26)24-13-20(15-4-7-17(23)8-5-15)19-12-16(22)6-11-21(19)24/h2-13H,1H3
InChIKey ISXODCSSEPOUIR-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 Dm1BlBK8EKO
Name 5-Bromo-3-(4-fluorophenyl)-1-(4-toluenesulfonyl)-1H-indole
Appearance White amorphous solid
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Formula C21H15BrFNO2S
InChI InChI=1S/C21H15BrFNO2S/c1-14-2-9-18(10-3-14)27(25,26)24-13-20(15-4-7-17(23)8-5-15)19-12-16(22)6-11-21(19)24/h2-13H,1H3
InChIKey ISXODCSSEPOUIR-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(Br)=CC2=C(C=C1)N(C=C2C1=CC=C(C=C1)F)S(C1=CC=C(C=C1)C)(=O)=O
SPLASH splash10-000f-0090500000-f5d2f4c4cf5014ac2258
Source of Spectrum QE-22-SM84-16f (DOI: 10.1002/chem.201602893)
Wiley ID 1905035