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exo-2-(3,6-Dipyridin-2-ylpyridazin-4-yl)-7-azabicyclo[2.2.1]heptane-7-carboxylic Acid Ethyl Ester
SpectraBase Compound ID D4CyA8sSMYH
InChI InChI=1S/C23H23N5O2/c1-2-30-23(29)28-15-9-10-21(28)16(13-15)17-14-20(18-7-3-5-11-24-18)26-27-22(17)19-8-4-6-12-25-19/h3-8,11-12,14-16,21H,2,9-10,13H2,1H3/t15-,16+,21+/m1/s1
InChIKey SIFZKMOAVCGHRU-XFQAVAEZSA-N
Mol Weight 401.47 g/mol
Molecular Formula C23H23N5O2
Exact Mass 401.185175 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HNfygKrBezW
Name exo-2-(3,6-Dipyridin-2-ylpyridazin-4-yl)-7-azabicyclo[2.2.1]heptane-7-carboxylic Acid Ethyl Ester
Comments Less than 3 mono-isotopic peaks
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Formula C23H23N5O2
InChI InChI=1S/C23H23N5O2/c1-2-30-23(29)28-15-9-10-21(28)16(13-15)17-14-20(18-7-3-5-11-24-18)26-27-22(17)19-8-4-6-12-25-19/h3-8,11-12,14-16,21H,2,9-10,13H2,1H3/t15-,16+,21+/m1/s1
InChIKey SIFZKMOAVCGHRU-XFQAVAEZSA-N
Molecular Weight 401.470 g/mol
SMILES [C@@]12(N([C@@](C[C@]2(c2c(nnc(c2)-c2ncccc2)-c2ncccc2)[H])(CC1)[H])C(=O)OCC)[H]
SPLASH splash10-0ik9-0090500000-04fd8aef7c2856af48f0
Source of Spectrum F2-44-53-16
Synonyms ethyl 2-[3,6-di(2-pyridinyl)-4-pyridazinyl]-7-azabicyclo[2.2.1]heptane-7-carboxylate
Wiley ID 1639116