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Diethyl-(1,5-diphenylpyrazol-3-yl)-methylphosphonate

View entire compound with spectra: 2 NMR

Diethyl-(1,5-diphenylpyrazol-3-yl)-methylphosphonate
SpectraBase Compound ID 6AzKEWZ74ZW
InChI InChI=1S/C20H23N2O3P/c1-3-24-26(23,25-4-2)16-18-15-20(17-11-7-5-8-12-17)22(21-18)19-13-9-6-10-14-19/h5-15H,3-4,16H2,1-2H3
InChIKey NFMWILVIRTVTSL-UHFFFAOYSA-N
Mol Weight 370.39 g/mol
Molecular Formula C20H23N2O3P
Exact Mass 370.14463 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HOL50D8qEBf
Name Diethyl-(1,5-diphenylpyrazol-3-yl)-methylphosphonate
Comments Computed using HOSE algorithm
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Exact Mass 370.144629604 u
Formula C20H23N2O3P
InChI InChI=1S/C20H23N2O3P/c1-3-24-26(23,25-4-2)16-18-15-20(17-11-7-5-8-12-17)22(21-18)19-13-9-6-10-14-19/h5-15H,3-4,16H2,1-2H3
InChIKey NFMWILVIRTVTSL-UHFFFAOYSA-N
Molecular Weight 370.389 g/mol
SMILES C=1(N(N=C(C1)CP(=O)(OCC)OCC)C1=CC=CC=C1)C=1C=CC=CC1