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(E)-Dimethyl [4-[benzyl(diphenylphosphinous)amidyl]cyclohept-2-en-1-yl]malonate
SpectraBase Compound ID 51yKL4gO0aR
InChI InChI=1S/C31H34NO4P/c1-35-30(33)29(31(34)36-2)25-15-12-16-26(22-21-25)32(23-24-13-6-3-7-14-24)37(27-17-8-4-9-18-27)28-19-10-5-11-20-28/h3-11,13-14,17-22,25-26,29H,12,15-16,23H2,1-2H3/t25-,26-/m1/s1
InChIKey CRVVQTKRIRVZDF-CLJLJLNGSA-N
Mol Weight 515.6 g/mol
Molecular Formula C31H34NO4P
Exact Mass 515.222546 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hv4S0zLwHrY
Name (E)-Dimethyl [4-[benzyl(diphenylphosphinous)amidyl]cyclohept-2-en-1-yl]malonate
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Formula C31H34NO4P
InChI InChI=1S/C31H34NO4P/c1-35-30(33)29(31(34)36-2)25-15-12-16-26(22-21-25)32(23-24-13-6-3-7-14-24)37(27-17-8-4-9-18-27)28-19-10-5-11-20-28/h3-11,13-14,17-22,25-26,29H,12,15-16,23H2,1-2H3/t25-,26-/m1/s1
InChIKey CRVVQTKRIRVZDF-CLJLJLNGSA-N
Molecular Weight 515.590 g/mol
SMILES c1(P(N([C@]2(C=C[C@](C(C(=O)OC)C(=O)OC)(CCC2)[H])[H])Cc2ccccc2)c2ccccc2)ccccc1
SPLASH splash10-008c-4404930000-e6b665c4c3d084fc62e3
Source of Spectrum C-120-6669-24
Synonyms Dimethyl 2-{(1R,4R)-4-[benzyl(diphenylphosphino)amino]-2-cyclohepten-1-yl}malonate
Wiley ID 761049