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3-(1,3-Dimethyl-4-nitropyrazol-5-yl)-2-phenylindole

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

3-(1,3-Dimethyl-4-nitropyrazol-5-yl)-2-phenylindole
SpectraBase Compound ID H7gdYIrLCvr
InChI InChI=1S/C19H16N4O2/c1-12-18(23(24)25)19(22(2)21-12)16-14-10-6-7-11-15(14)20-17(16)13-8-4-3-5-9-13/h3-11,20H,1-2H3
InChIKey HFVDDYWKQWJTHT-UHFFFAOYSA-N
Mol Weight 332.36 g/mol
Molecular Formula C19H16N4O2
Exact Mass 332.127326 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1UjZNUszL54
Name 3-(1,3-Dimethyl-4-nitropyrazol-5-yl)-2-phenylindole
Comments Computed using HOSE algorithm
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Exact Mass 332.127325769 u
Formula C19H16N4O2
InChI InChI=1S/C19H16N4O2/c1-12-18(23(24)25)19(22(2)21-12)16-14-10-6-7-11-15(14)20-17(16)13-8-4-3-5-9-13/h3-11,20H,1-2H3
InChIKey HFVDDYWKQWJTHT-UHFFFAOYSA-N
Molecular Weight 332.363 g/mol
SMILES C1(C2=C(NC3=C2C=CC=C3)C=2C=CC=CC2)=C(C(C)=NN1C)N(=O)=O