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4-besyl-N-[2-(1H-indol-3-yl)ethyl]benzamide
SpectraBase Compound ID f5M5ujSNrQ
InChI InChI=1S/C23H20N2O3S/c26-23(24-15-14-18-16-25-22-9-5-4-8-21(18)22)17-10-12-20(13-11-17)29(27,28)19-6-2-1-3-7-19/h1-13,16,25H,14-15H2,(H,24,26)
InChIKey GRCHNTCHOQQYIL-UHFFFAOYSA-N
Mol Weight 404.48 g/mol
Molecular Formula C23H20N2O3S
Exact Mass 404.119464 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BXEKNeJMbaD
Name 4-Besyl-N-[2-(1H-indol-3-yl)ethyl]benzamide
Comments Computed using HOSE algorithm
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Exact Mass 404.119463683 u
Formula C23H20N2O3S
InChI InChI=1S/C23H20N2O3S/c26-23(24-15-14-18-16-25-22-9-5-4-8-21(18)22)17-10-12-20(13-11-17)29(27,28)19-6-2-1-3-7-19/h1-13,16,25H,14-15H2,(H,24,26)
InChIKey GRCHNTCHOQQYIL-UHFFFAOYSA-N
Molecular Weight 404.484 g/mol
SMILES C=1C=CC(S(C=2C=CC(C(=O)NCCC3=CNC4=C3C=CC=C4)=CC2)(=O)=O)=CC1