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N-[(E)-2-(4-fluorophenyl)-1-({[2-(1H-indol-3-yl)ethyl]amino}carbonyl)ethenyl]benzamide
SpectraBase Compound ID 6qp6ghSQfAy
InChI InChI=1S/C26H22FN3O2/c27-21-12-10-18(11-13-21)16-24(30-25(31)19-6-2-1-3-7-19)26(32)28-15-14-20-17-29-23-9-5-4-8-22(20)23/h1-13,16-17,29H,14-15H2,(H,28,32)(H,30,31)/b24-16+
InChIKey IOJOUDNVYMXRKS-LFVJCYFKSA-N
Mol Weight 427.48 g/mol
Molecular Formula C26H22FN3O2
Exact Mass 427.169605 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CSwNudCoEy1
Name N-[(E)-2-(4-Fluorophenyl)-1-({[2-(1H-indol-3-yl)ethyl]amino}carbonyl)ethenyl]benzamide
Comments Computed using HOSE algorithm
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Exact Mass 427.169605121 u
Formula C26H22FN3O2
InChI InChI=1S/C26H22FN3O2/c27-21-12-10-18(11-13-21)16-24(30-25(31)19-6-2-1-3-7-19)26(32)28-15-14-20-17-29-23-9-5-4-8-22(20)23/h1-13,16-17,29H,14-15H2,(H,28,32)(H,30,31)/b24-16+
InChIKey IOJOUDNVYMXRKS-LFVJCYFKSA-N
Molecular Weight 427.479 g/mol
SMILES N(\C(C(=O)NCCC1=CNC2=C1C=CC=C2)=C\C1=CC=C(C=C1)F)C(=O)C=1C=CC=CC1