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3-Benzylpyrimido[4,5-i]imidazo[4,5-g]cinnoline
SpectraBase Compound ID KRRFrBvxy15
InChI InChI=1S/C18H12N6/c1-2-4-12(5-3-1)9-24-11-21-16-6-13-14-8-19-10-20-18(14)23-22-15(13)7-17(16)24/h1-8,10-11H,9H2
InChIKey GXCKZFITARCQOM-UHFFFAOYSA-N
Mol Weight 312.34 g/mol
Molecular Formula C18H12N6
Exact Mass 312.112344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 35K1DgrLF2b
Name 3-Benzylpyrimido[4,5-i]imidazo[4,5-g]cinnoline
Alternate Name(s) 3-Benzylimidazo[4,5-g]pyrimido[4,5-i]cinnoline
CAS Registry Number 96228-61-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H12N6
InChI InChI=1S/C18H12N6/c1-2-4-12(5-3-1)9-24-11-21-16-6-13-14-8-19-10-20-18(14)23-22-15(13)7-17(16)24/h1-8,10-11H,9H2
InChIKey GXCKZFITARCQOM-UHFFFAOYSA-N
Molecular Weight 312.336 g/mol
SMILES c12[n](cnc2cc2c(c1)nnc1ncncc21)Cc1ccccc1
SPLASH splash10-01ox-9006000000-8950148b102a5259e9de
Source of Spectrum J-50-2460-14
Wiley ID 1313298