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Methyl(1.alpha.,2.beta.,5.beta.,6.alpha.)-7,7-diphenyl-3,8,9-triazatricyclo[4.3.0.0(2,5)]none-8-ene-3-carboxylate
SpectraBase Compound ID 8pBvzqyAeWx
InChI InChI=1S/C20H19N3O2/c1-25-19(24)23-12-15-16-17(18(15)23)21-22-20(16,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,15-18H,12H2,1H3/t15-,16-,17-,18-/m0/s1
InChIKey XVLPFNBSXSLDMZ-XSLAGTTESA-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 3iUVGrH69TS
Name Methyl(1.alpha.,2.beta.,5.beta.,6.alpha.)-7,7-diphenyl-3,8,9-triazatricyclo[4.3.0.0(2,5)]none-8-ene-3-carboxylate
CAS Registry Number 105252-66-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H19N3O2
InChI InChI=1S/C20H19N3O2/c1-25-19(24)23-12-15-16-17(18(15)23)21-22-20(16,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,15-18H,12H2,1H3/t15-,16-,17-,18-/m0/s1
InChIKey XVLPFNBSXSLDMZ-XSLAGTTESA-N
Molecular Weight 333.391 g/mol
SMILES [C@@]12(N(C[C@]1([C@@]1(C(N=N[C@]21[H])(c1ccccc1)c1ccccc1)[H])[H])C(=O)OC)[H]
SPLASH splash10-0f89-0926000000-9f9c7a759197175930d1
Source of Spectrum K-120-208-15
Synonyms Methyl (1S,2S,5R,6S)-7,7-diphenyl-3,8,9-triazatricyclo[4.3.0.0(2,5)]non-8-ene-3-carboxylate
Wiley ID 1330347