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2-Chloro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-5-nitrobenzamide

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

2-Chloro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-5-nitrobenzamide
SpectraBase Compound ID I9twokfebe3
InChI InChI=1S/C18H16ClN3O3/c1-11-13(14-4-2-3-5-17(14)21-11)8-9-20-18(23)15-10-12(22(24)25)6-7-16(15)19/h2-7,10,21H,8-9H2,1H3,(H,20,23)
InChIKey LTVSSQLGIHDDKJ-UHFFFAOYSA-N
Mol Weight 357.8 g/mol
Molecular Formula C18H16ClN3O3
Exact Mass 357.088019 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6jZ14NVeJst
Name 2-Chloro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-5-nitrobenzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 357.088019084 u
Formula C18H16ClN3O3
InChI InChI=1S/C18H16ClN3O3/c1-11-13(14-4-2-3-5-17(14)21-11)8-9-20-18(23)15-10-12(22(24)25)6-7-16(15)19/h2-7,10,21H,8-9H2,1H3,(H,20,23)
InChIKey LTVSSQLGIHDDKJ-UHFFFAOYSA-N
Molecular Weight 357.797 g/mol
SMILES C=1C=CC=2C(=C(NC2C1)C)CCNC(C1=CC(N(=O)=O)=CC=C1Cl)=O