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dimethyl(1.alpha.,2.beta.,4.beta.,5.alpha.)-3,3-diphenyl-6,7-diazatricyclo[3.2.0.0(2,4)]heptane-6,7-dicarboxylate
SpectraBase Compound ID 7KzbSgldzmW
InChI InChI=1S/C21H20N2O4/c1-26-19(24)22-17-15-16(18(17)23(22)20(25)27-2)21(15,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15-18H,1-2H3/t15-,16+,17+,18-
InChIKey PSHHODSELWBKBW-FZDBZEDMSA-N
Mol Weight 364.4 g/mol
Molecular Formula C21H20N2O4
Exact Mass 364.142307 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6KiyNt7rdD9
Name dimethyl(1.alpha.,2.beta.,4.beta.,5.alpha.)-3,3-diphenyl-6,7-diazatricyclo[3.2.0.0(2,4)]heptane-6,7-dicarboxylate
CAS Registry Number 105367-60-0
Comments Less than 3 mono-isotopic peaks
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Formula C21H20N2O4
InChI InChI=1S/C21H20N2O4/c1-26-19(24)22-17-15-16(18(17)23(22)20(25)27-2)21(15,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15-18H,1-2H3/t15-,16+,17+,18-
InChIKey PSHHODSELWBKBW-FZDBZEDMSA-N
Molecular Weight 364.401 g/mol
SMILES C(N1N([C@@]2([C@@]3([C@@]([C@]12[H])([H])C3(c1ccccc1)c1ccccc1)[H])[H])C(=O)OC)(=O)OC
SPLASH splash10-0a4i-0009000000-9978b1db2cb65746e539
Source of Spectrum K-120-207-11
Synonyms dimethyl (1R,2R,4S,5S)-3,3-diphenyl-6,7-diazatricyclo[3.2.0.0(2,4)]heptane-6,7-dicarboxylate
Wiley ID 1350858