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3-benzylpyrimido[6,5-i]imidazo[4,5-g]-9H-cinnolin-10-one
SpectraBase Compound ID 5Qy8SfDcmaW
InChI InChI=1S/C18H12N6O/c25-16-7-14-6-13-8-20-22-17(13)15-10-24(9-12-4-2-1-3-5-12)11-19-18(14,15)23-21-16/h1-8,10-11H,9H2
InChIKey UOBILYHNWFHEDI-UHFFFAOYSA-N
Mol Weight 328.34 g/mol
Molecular Formula C18H12N6O
Exact Mass 328.107259 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9VRPeyiQtqG
Name 3-benzylpyrimido[6,5-i]imidazo[4,5-g]-9H-cinnolin-10-one
Alternate Name(s) 2-benzylpyrazolo[4,3-g]pyrimido[5,4-i]cinnolin-7(2H)-one
CAS Registry Number 96228-59-0
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H12N6O
InChI InChI=1S/C18H12N6O/c25-16-7-14-6-13-8-20-22-17(13)15-10-24(9-12-4-2-1-3-5-12)11-19-18(14,15)23-21-16/h1-8,10-11H,9H2
InChIKey UOBILYHNWFHEDI-UHFFFAOYSA-N
Molecular Weight 328.335 g/mol
SMILES C123C(C4=NN=CC4=CC3=CC(N=N1)=O)=CN(C=N2)Cc1ccccc1
SPLASH splash10-004i-4009000000-d3960bd5da7541d73faa
Source of Spectrum J-50-2459-12
Wiley ID 1326177