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3-Bromo-5-fluoro-N-(4-toluenesulfonyl)indole
SpectraBase Compound ID 8I6B0kZiMAp
InChI InChI=1S/C15H11BrFNO2S/c1-10-2-5-12(6-3-10)21(19,20)18-9-14(16)13-8-11(17)4-7-15(13)18/h2-9H,1H3
InChIKey GUWFEADJNZQXFC-UHFFFAOYSA-N
Mol Weight 368.22 g/mol
Molecular Formula C15H11BrFNO2S
Exact Mass 366.967791 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GDXOpXKAXMZ
Name 3-Bromo-5-fluoro-N-(4-toluenesulfonyl)indole
Appearance Pale yellow solid
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Exact Mass 366.967790933 u
Formula C15H11BrFNO2S
InChI InChI=1S/C15H11BrFNO2S/c1-10-2-5-12(6-3-10)21(19,20)18-9-14(16)13-8-11(17)4-7-15(13)18/h2-9H,1H3
InChIKey GUWFEADJNZQXFC-UHFFFAOYSA-N
Instrument Name ThermoElectron MAT 900
Ionization Type EI positive ion
Literature Reference DOI 10.1002/chem.201602893
Molecular Weight 368.220 g/mol
Reported Formula C15H11O2N(79)BrF(32)S
SMILES C=1C(=CC2=C(C1)N(C=C2Br)S(C1=CC=C(C=C1)C)(=O)=O)F
SPLASH splash10-00lr-0089000000-bc84de54bc5d274fba65
Source of Spectrum QE-22-SM54-25 (DOI: 10.1002/chem.201602893)
Wiley ID 1905042