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[2-(2-Phenylbenzoimidazol-1-yl)ethyl]phosphonic acid
SpectraBase Compound ID BvbVXwRSToX
InChI InChI=1S/C15H15N2O3P/c18-21(19,20)11-10-17-14-9-5-4-8-13(14)16-15(17)12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,18,19,20)
InChIKey SCEUGURMTDTGDL-UHFFFAOYSA-N
Mol Weight 302.27 g/mol
Molecular Formula C15H15N2O3P
Exact Mass 302.082029 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F367lHGDUhJ
Name [2-(2-Phenylbenzoimidazol-1-yl)ethyl]phosphonic acid
Comments Computed using HOSE algorithm
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Exact Mass 302.082029346 u
Formula C15H15N2O3P
InChI InChI=1S/C15H15N2O3P/c18-21(19,20)11-10-17-14-9-5-4-8-13(14)16-15(17)12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,18,19,20)
InChIKey SCEUGURMTDTGDL-UHFFFAOYSA-N
Molecular Weight 302.270 g/mol
SMILES C1=CC=C2C(=C1)N=C(N2CCP(O)(=O)O)C1=CC=CC=C1