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Methyl(1.alpha.,2.beta.,5.beta.,6.alpha.)-9,9-diphenyl-3,7,8-triazatricyclo[4.3.0.0(2,5)]none-7-ene-3-carboxylate
SpectraBase Compound ID KZNzgRotwUM
InChI InChI=1S/C20H19N3O2/c1-25-19(24)23-12-15-17-16(18(15)23)20(22-21-17,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,15-18H,12H2,1H3/t15-,16-,17?,18-/m0/s1
InChIKey IZPFVGOATSAART-VRAMHSHPSA-N
Mol Weight 333.39 g/mol
Molecular Formula C20H19N3O2
Exact Mass 333.147727 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CEEgoDS1pIC
Name Methyl(1.alpha.,2.beta.,5.beta.,6.alpha.)-9,9-diphenyl-3,7,8-triazatricyclo[4.3.0.0(2,5)]none-7-ene-3-carboxylate
CAS Registry Number 105252-65-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H19N3O2
InChI InChI=1S/C20H19N3O2/c1-25-19(24)23-12-15-17-16(18(15)23)20(22-21-17,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,15-18H,12H2,1H3/t15-,16-,17?,18-/m0/s1
InChIKey IZPFVGOATSAART-VRAMHSHPSA-N
Molecular Weight 333.391 g/mol
SMILES [C@@]12(N(C[C@]1(C1N=NC([C@]21[H])(c1ccccc1)c1ccccc1)[H])C(=O)OC)[H]
SPLASH splash10-0f89-0927000000-b1e82d793ed06b165fbd
Source of Spectrum K-120-208-14
Synonyms Methyl (1R,2S,5R)-9,9-diphenyl-3,7,8-triazatricyclo[4.3.0.0(2,5)]non-7-ene-3-carboxylate
Wiley ID 1330346