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dimethyl(1.alpha.,2.beta.,5.beta.,6.alpha.)-9,9-diphenyl-3,4,7,8-tetraazatricyclo[4.3.0.0(2,5)non-7-ene-3,4-dicarboxylate

View entire compound with spectra: 1 MS (GC)

dimethyl(1.alpha.,2.beta.,5.beta.,6.alpha.)-9,9-diphenyl-3,4,7,8-tetraazatricyclo[4.3.0.0(2,5)non-7-ene-3,4-dicarboxylate
SpectraBase Compound ID ESISBjtsN3
InChI InChI=1S/C21H20N4O4/c1-28-19(26)24-17-15-16(18(17)25(24)20(27)29-2)22-23-21(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-/m0/s1
InChIKey CEBSEDFJKSTSLR-MLHJIOFPSA-N
Mol Weight 392.42 g/mol
Molecular Formula C21H20N4O4
Exact Mass 392.148455 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K8K9Aycj2Gg
Name dimethyl(1.alpha.,2.beta.,5.beta.,6.alpha.)-9,9-diphenyl-3,4,7,8-tetraazatricyclo[4.3.0.0(2,5)non-7-ene-3,4-dicarboxylate
CAS Registry Number 105367-57-5
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20N4O4
InChI InChI=1S/C21H20N4O4/c1-28-19(26)24-17-15-16(18(17)25(24)20(27)29-2)22-23-21(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-/m0/s1
InChIKey CEBSEDFJKSTSLR-MLHJIOFPSA-N
Molecular Weight 392.415 g/mol
SMILES C(N1N([C@@]2([C@]1([C@@]1([C@]2(N=NC1(c1ccccc1)c1ccccc1)[H])[H])[H])[H])C(=O)OC)(=O)OC
SPLASH splash10-0a4i-0009000000-ac0a98d8c4876ab64379
Source of Spectrum K-120-206-10
Synonyms dimethyl (1R,2R,5R,6R)-9,9-diphenyl-3,4,7,8-tetraazatricyclo[4.3.0.0(2,5)]non-7-ene-3,4-dicarboxylate
Wiley ID 1365757