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1,2-Ethanediol, 1-(1-phenyl-1H-pyrazolo[3,4-b]quinoxalin-3-yl)-, (S)-
SpectraBase Compound ID KkE2jy1bcnB
InChI InChI=1S/C17H14N4O2/c22-10-14(23)15-16-17(19-13-9-5-4-8-12(13)18-16)21(20-15)11-6-2-1-3-7-11/h1-9,14,22-23H,10H2
InChIKey OVJDURNHVALGIS-UHFFFAOYSA-N
Mol Weight 306.33 g/mol
Molecular Formula C17H14N4O2
Exact Mass 306.111676 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5enfaFL3HsS
Name 1,2-Ethanediol, 1-(1-phenyl-1H-pyrazolo[3,4-B]quinoxalin-3-yl)-, (S)-
Comments Computed using HOSE algorithm
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Exact Mass 306.111675705 u
Formula C17H14N4O2
InChI InChI=1S/C17H14N4O2/c22-10-14(23)15-16-17(19-13-9-5-4-8-12(13)18-16)21(20-15)11-6-2-1-3-7-11/h1-9,14,22-23H,10H2
InChIKey OVJDURNHVALGIS-UHFFFAOYSA-N
Molecular Weight 306.325 g/mol
SMILES [C@@](CO)(O)(C=1C2=C(N=C3C(=N2)C=CC=C3)N(N1)C1=CC=CC=C1)[H]