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3,6-Dioxo-5-phenyl-2,5-diazabicyclo[2.2.2[octane-1-carbonitrile
SpectraBase Compound ID 9XNptC9TiuO
InChI InChI=1S/C13H11N3O2/c14-8-13-7-6-10(11(17)15-13)16(12(13)18)9-4-2-1-3-5-9/h1-5,10H,6-7H2,(H,15,17)/t10-,13+/m1/s1
InChIKey PJOUNBXJBNFMHF-MFKMUULPSA-N
Mol Weight 241.25 g/mol
Molecular Formula C13H11N3O2
Exact Mass 241.085127 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ls0Qk8CmmlJ
Name 3,6-Dioxo-5-phenyl-2,5-diazabicyclo[2.2.2[octane-1-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11N3O2
InChI InChI=1S/C13H11N3O2/c14-8-13-7-6-10(11(17)15-13)16(12(13)18)9-4-2-1-3-5-9/h1-5,10H,6-7H2,(H,15,17)/t10-,13+/m1/s1
InChIKey PJOUNBXJBNFMHF-MFKMUULPSA-N
Molecular Weight 241.250 g/mol
SMILES N1C([C@@]2(N(C([C@]1(CC2)C#N)=O)c1ccccc1)[H])=O
SPLASH splash10-0006-9340000000-407e41f36db53fc3b588
Source of Spectrum F-47-9266-3
Wiley ID 1244062