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1H-benzimidazole, 2-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-
SpectraBase Compound ID FTwUaXK8MNj
InChI InChI=1S/C18H14N4O3/c1-2-4-13-12(3-1)19-16(20-13)7-8-17-21-18(22-25-17)11-5-6-14-15(9-11)24-10-23-14/h1-6,9H,7-8,10H2,(H,19,20)
InChIKey FQKUNCFXIGCBGY-UHFFFAOYSA-N
Mol Weight 334.34 g/mol
Molecular Formula C18H14N4O3
Exact Mass 334.10659 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IWU684QX4b2
Name 1H-Benzimidazole, 2-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-
Comments Computed using HOSE algorithm
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Exact Mass 334.106590324 u
Formula C18H14N4O3
InChI InChI=1S/C18H14N4O3/c1-2-4-13-12(3-1)19-16(20-13)7-8-17-21-18(22-25-17)11-5-6-14-15(9-11)24-10-23-14/h1-6,9H,7-8,10H2,(H,19,20)
InChIKey FQKUNCFXIGCBGY-UHFFFAOYSA-N
Molecular Weight 334.335 g/mol
SMILES N1C=2C=CC=CC2N=C1CCC1=NC(=NO1)C1=CC=2OCOC2C=C1