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4-Chloro-N-[2-(2-methyl-1H-indol-3-yl)-ethyl]-benzamide

View entire compound with spectra: 2 NMR, and 1 MS (GC)

4-Chloro-N-[2-(2-methyl-1H-indol-3-yl)-ethyl]-benzamide
SpectraBase Compound ID 1S53Z4qIrcK
InChI InChI=1S/C18H17ClN2O/c1-12-15(16-4-2-3-5-17(16)21-12)10-11-20-18(22)13-6-8-14(19)9-7-13/h2-9,21H,10-11H2,1H3,(H,20,22)
InChIKey PXZCEIOAFOYWAL-UHFFFAOYSA-N
Mol Weight 312.8 g/mol
Molecular Formula C18H17ClN2O
Exact Mass 312.102941 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JpJkWHCUpHA
Name 4-Chloro-N-[2-(2-methyl-1H-indol-3-yl)-ethyl]-benzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 312.102940874 u
Formula C18H17ClN2O
InChI InChI=1S/C18H17ClN2O/c1-12-15(16-4-2-3-5-17(16)21-12)10-11-20-18(22)13-6-8-14(19)9-7-13/h2-9,21H,10-11H2,1H3,(H,20,22)
InChIKey PXZCEIOAFOYWAL-UHFFFAOYSA-N
Molecular Weight 312.800 g/mol
SMILES C1=CC=C2C(NC(=C2CCNC(C2=CC=C(C=C2)Cl)=O)C)=C1