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3-benzyl-8-cyano-7-nitroimidazo[4,5-g]cinnoline
SpectraBase Compound ID 8SJxClRjGEk
InChI InChI=1S/C17H10N6O2/c18-10-22-16-9-14-12(8-15(16)19-17(22)23(24)25)7-13(20-21-14)6-11-4-2-1-3-5-11/h1-5,7-9H,6H2
InChIKey YPHCWTOVROJLLO-UHFFFAOYSA-N
Mol Weight 330.31 g/mol
Molecular Formula C17H10N6O2
Exact Mass 330.086524 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A0cbmMHcJSR
Name 3-benzyl-8-cyano-7-nitroimidazo[4,5-g]cinnoline
Alternate Name(s) 3-benzyl-8-cyano-7-nitro-8H-imidazo[4,5-g]cinnoline
CAS Registry Number 96228-56-7
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H10N6O2
InChI InChI=1S/C17H10N6O2/c18-10-22-16-9-14-12(8-15(16)19-17(22)23(24)25)7-13(20-21-14)6-11-4-2-1-3-5-11/h1-5,7-9H,6H2
InChIKey YPHCWTOVROJLLO-UHFFFAOYSA-N
Molecular Weight 330.307 g/mol
SMILES c1([n](c2cc3nnc(cc3cc2n1)Cc1ccccc1)C#N)N(=O)=O
SPLASH splash10-0006-9005000000-69912aa7eb64fb262e85
Source of Spectrum J-50-2459-10
Wiley ID 1327657