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4-Chloranyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-nitro-benzamide
SpectraBase Compound ID Bj8RNC4eGYI
InChI InChI=1S/C18H16ClN3O3/c1-11-13(14-4-2-3-5-16(14)21-11)8-9-20-18(23)12-6-7-15(19)17(10-12)22(24)25/h2-7,10,21H,8-9H2,1H3,(H,20,23)
InChIKey BCBYZBBSAIDXJN-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 HZz9dTGrrD6
Name 4-Chloranyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-nitro-benzamide
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(14-4-2-3-5-16(14)21-11)8-9-20-18(23)12-6-7-15(19)17(10-12)22(24)25/h2-7,10,21H,8-9H2,1H3,(H,20,23)
InChIKey BCBYZBBSAIDXJN-UHFFFAOYSA-N
Molecular Weight 357.797 g/mol
SMILES C1=CC=C2C(=C(NC2=C1)C)CCNC(C=1C=C(N(=O)=O)C(=CC1)Cl)=O