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(E)-1,5-bis(3-bromophenyl)-5-(1H-indol-3-yl)pent-1-en-3-one
SpectraBase Compound ID 3pe8CYaqBGS
InChI InChI=1S/C25H19Br2NO/c26-19-7-3-5-17(13-19)11-12-21(29)15-23(18-6-4-8-20(27)14-18)24-16-28-25-10-2-1-9-22(24)25/h1-14,16,23,28H,15H2/b12-11+
InChIKey VEPXONCINRROOB-VAWYXSNFSA-N
Mol Weight 509.24 g/mol
Molecular Formula C25H19Br2NO
Exact Mass 506.98334 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID k82yXkamRd
Name (E)-1,5-bis(3-Bromophenyl)-5-(1H-indol-3-yl)pent-1-en-3-one
Comments Computed using HOSE algorithm
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Exact Mass 506.983340235 u
Formula C25H19Br2NO
InChI InChI=1S/C25H19Br2NO/c26-19-7-3-5-17(13-19)11-12-21(29)15-23(18-6-4-8-20(27)14-18)24-16-28-25-10-2-1-9-22(24)25/h1-14,16,23,28H,15H2/b12-11+
InChIKey VEPXONCINRROOB-VAWYXSNFSA-N
Molecular Weight 509.241 g/mol
SMILES C(=O)(CC(C1=CC=CC(=C1)Br)C=1C2=C(C=CC=C2)NC1)\C=C\C1=CC(=CC=C1)Br