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2-(Pyridin-3-ylmethyl)-1H-pyrrolo[3,4-b]quinoline-1,3(2H)-dione
SpectraBase Compound ID aKbqTnRnLB
InChI InChI=1S/C17H11N3O2/c21-16-13-8-12-5-1-2-6-14(12)19-15(13)17(22)20(16)10-11-4-3-7-18-9-11/h1-9H,10H2
InChIKey KECOGXTZTSENOS-UHFFFAOYSA-N
Mol Weight 289.29 g/mol
Molecular Formula C17H11N3O2
Exact Mass 289.085127 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2mJdBEZRj6
Name 2-(Pyridin-3-ylmethyl)-1H-pyrrolo[3,4-b]quinoline-1,3(2H)-dione
Appearance Yellow solid
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 289.085126604 u
Formula C17H11N3O2
GC Oven Program Oven temp 320oC
InChI InChI=1S/C17H11N3O2/c21-16-13-8-12-5-1-2-6-14(12)19-15(13)17(22)20(16)10-11-4-3-7-18-9-11/h1-9H,10H2
InChIKey KECOGXTZTSENOS-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-2020
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202201374
Quality 168
Reported Formula C17H11N3O2
SMILES C1=NC=CC=C1CN1C(C2=NC3=C(C=C2C1=O)C=CC=C3)=O
SPLASH splash10-0a70-2390000000-2634105863049db146a5
Source of Spectrum K1-26-SM11-3o (DOI: 10.1002/ejoc.202201374)
Thin-Layer Chromatography 0.4 (EtOAc/CHCl3, 80:20)
Wiley ID 1910412