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3-(Indol-3-yl)methyl-5-(4-nitrophenyl)-1,2,4-oxadiazole

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

3-(Indol-3-yl)methyl-5-(4-nitrophenyl)-1,2,4-oxadiazole
SpectraBase Compound ID 8RfM3YDdsgA
InChI InChI=1S/C17H12N4O3/c22-21(23)13-7-5-11(6-8-13)17-19-16(20-24-17)9-12-10-18-15-4-2-1-3-14(12)15/h1-8,10,18H,9H2
InChIKey QRRFATGBESAYDU-UHFFFAOYSA-N
Mol Weight 320.31 g/mol
Molecular Formula C17H12N4O3
Exact Mass 320.09094 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1sTpRiVfkHk
Name 3-(Indol-3-yl)methyl-5-(4-nitrophenyl)-1,2,4-oxadiazole
Comments Computed using HOSE algorithm
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Exact Mass 320.090940259 u
Formula C17H12N4O3
InChI InChI=1S/C17H12N4O3/c22-21(23)13-7-5-11(6-8-13)17-19-16(20-24-17)9-12-10-18-15-4-2-1-3-14(12)15/h1-8,10,18H,9H2
InChIKey QRRFATGBESAYDU-UHFFFAOYSA-N
Molecular Weight 320.308 g/mol
SMILES C1(=NC(=NO1)CC1=CNC2=C1C=CC=C2)C1=CC=C(N(=O)=O)C=C1