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N-[2-(7-chloranyl-2-methyl-1H-indol-3-yl)ethyl]-3,5-dinitro-benzamide

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

N-[2-(7-chloranyl-2-methyl-1H-indol-3-yl)ethyl]-3,5-dinitro-benzamide
SpectraBase Compound ID GAvP0X3VGK5
InChI InChI=1S/C18H15ClN4O5/c1-10-14(15-3-2-4-16(19)17(15)21-10)5-6-20-18(24)11-7-12(22(25)26)9-13(8-11)23(27)28/h2-4,7-9,21H,5-6H2,1H3,(H,20,24)
InChIKey GWIFYTXFVJTXGI-UHFFFAOYSA-N
Mol Weight 402.79 g/mol
Molecular Formula C18H15ClN4O5
Exact Mass 402.073097 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ho5C4aNkdCs
Name N-[2-(7-Chloranyl-2-methyl-1H-indol-3-yl)ethyl]-3,5-dinitro-benzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 402.073097294 u
Formula C18H15ClN4O5
InChI InChI=1S/C18H15ClN4O5/c1-10-14(15-3-2-4-16(19)17(15)21-10)5-6-20-18(24)11-7-12(22(25)26)9-13(8-11)23(27)28/h2-4,7-9,21H,5-6H2,1H3,(H,20,24)
InChIKey GWIFYTXFVJTXGI-UHFFFAOYSA-N
Molecular Weight 402.794 g/mol
SMILES C=1C=CC2=C(NC(=C2CCNC(C2=CC(N(=O)=O)=CC(N(=O)=O)=C2)=O)C)C1Cl