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5-Fluoro-3-(4-bromophenyl)-1-(4-toluenesulfonyl)-1H-indole
SpectraBase Compound ID AwJqKwhwv6D
InChI InChI=1S/C21H15BrFNO2S/c1-14-2-9-18(10-3-14)27(25,26)24-13-20(15-4-6-16(22)7-5-15)19-12-17(23)8-11-21(19)24/h2-13H,1H3
InChIKey UHWRVJXNEPBHFJ-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 8RHBdJYUfKX
Name 5-Fluoro-3-(4-bromophenyl)-1-(4-toluenesulfonyl)-1H-indole
Appearance White crystalline solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 442.999091062 u
Formula C21H15BrFNO2S
InChI InChI=1S/C21H15BrFNO2S/c1-14-2-9-18(10-3-14)27(25,26)24-13-20(15-4-6-16(22)7-5-15)19-12-17(23)8-11-21(19)24/h2-13H,1H3
InChIKey UHWRVJXNEPBHFJ-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 C=1C(=CC2=C(C1)N(C=C2C1=CC=C(C=C1)Br)S(C1=CC=C(C=C1)C)(=O)=O)F
SPLASH splash10-000f-0090600000-39712ce861d1f6aae967
Source of Spectrum QE-22-SM62-14d (DOI: 10.1002/chem.201602893)
Wiley ID 1905030