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(1,3-Dicyclohexylureidocarbonylmethylene)triphenylphosphorane
SpectraBase Compound ID 4uyr3jSF3kh
InChI InChI=1S/C33H39N2O2P/c36-32(35(28-18-8-2-9-19-28)33(37)34-27-16-6-1-7-17-27)26-38(29-20-10-3-11-21-29,30-22-12-4-13-23-30)31-24-14-5-15-25-31/h3-5,10-15,20-28H,1-2,6-9,16-19H2,(H,34,37)
InChIKey XUHCWBFMSQYXJI-UHFFFAOYSA-N
Mol Weight 526.7 g/mol
Molecular Formula C33H39N2O2P
Exact Mass 526.274915 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2A7BTMSLoj1
Name (1,3-Dicyclohexylureidocarbonylmethylene)triphenylphosphorane
Comments Computed using HOSE algorithm
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Exact Mass 526.274915500 u
Formula C33H39N2O2P
InChI InChI=1S/C33H39N2O2P/c36-32(35(28-18-8-2-9-19-28)33(37)34-27-16-6-1-7-17-27)26-38(29-20-10-3-11-21-29,30-22-12-4-13-23-30)31-24-14-5-15-25-31/h3-5,10-15,20-28H,1-2,6-9,16-19H2,(H,34,37)
InChIKey XUHCWBFMSQYXJI-UHFFFAOYSA-N
Molecular Weight 526.661 g/mol
SMILES N(C(N(C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)=O)C1CCCCC1)=O)C1CCCCC1