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2-chloro-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide
SpectraBase Compound ID BUYCs1OU47b
InChI InChI=1S/C17H14Cl2N2O/c18-12-5-6-16-14(9-12)11(10-21-16)7-8-20-17(22)13-3-1-2-4-15(13)19/h1-6,9-10,21H,7-8H2,(H,20,22)
InChIKey UQDFCUIGEJXPDI-UHFFFAOYSA-N
Mol Weight 333.22 g/mol
Molecular Formula C17H14Cl2N2O
Exact Mass 332.048318 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3iLEcoBbu2x
Name 2-Chloro-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide
Comments Computed using HOSE algorithm
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Exact Mass 332.048318478 u
Formula C17H14Cl2N2O
InChI InChI=1S/C17H14Cl2N2O/c18-12-5-6-16-14(9-12)11(10-21-16)7-8-20-17(22)13-3-1-2-4-15(13)19/h1-6,9-10,21H,7-8H2,(H,20,22)
InChIKey UQDFCUIGEJXPDI-UHFFFAOYSA-N
Molecular Weight 333.218 g/mol
SMILES N(C(C1=C(Cl)C=CC=C1)=O)CCC1=CNC2=C1C=C(C=C2)Cl