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1-(3-Indolyl)-3-(1-methyl-3-indolyl)-2-nitropropane

View entire compound with spectra: 1 NMR, and 3 MS (GC)

1-(3-Indolyl)-3-(1-methyl-3-indolyl)-2-nitropropane
SpectraBase Compound ID 5B9CZsIqCD
InChI InChI=1S/C20H19N3O2/c1-22-13-15(18-7-3-5-9-20(18)22)11-16(23(24)25)10-14-12-21-19-8-4-2-6-17(14)19/h2-9,12-13,16,21H,10-11H2,1H3
InChIKey KQAKBSHVYYUKSG-UHFFFAOYSA-N
Mol Weight 333.39 g/mol
Molecular Formula C20H19N3O2
Exact Mass 333.147727 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID uovAs9p5mm
Name 1-(3-Indolyl)-3-(1-methyl-3-indolyl)-2-nitropropane
Comments Computed using HOSE algorithm
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Exact Mass 333.147726862 u
Formula C20H19N3O2
InChI InChI=1S/C20H19N3O2/c1-22-13-15(18-7-3-5-9-20(18)22)11-16(23(24)25)10-14-12-21-19-8-4-2-6-17(14)19/h2-9,12-13,16,21H,10-11H2,1H3
InChIKey KQAKBSHVYYUKSG-UHFFFAOYSA-N
Molecular Weight 333.391 g/mol
SMILES CN1C=2C=CC=CC2C(=C1)CC(N(=O)=O)CC1=CNC2=CC=CC=C12