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2-Cyclohexyl-1H-pyrrolo[3,4-b]quinoline-1,3(2H)-dione
SpectraBase Compound ID ETXJPjR3V7R
InChI InChI=1S/C17H16N2O2/c20-16-13-10-11-6-4-5-9-14(11)18-15(13)17(21)19(16)12-7-2-1-3-8-12/h4-6,9-10,12H,1-3,7-8H2
InChIKey GYSJRKVCOSPPKF-UHFFFAOYSA-N
Mol Weight 280.33 g/mol
Molecular Formula C17H16N2O2
Exact Mass 280.121178 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8TDuNqQgjuX
Name 2-Cyclohexyl-1H-pyrrolo[3,4-b]quinoline-1,3(2H)-dione
Appearance White solid
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 280.121177761 u
Formula C17H16N2O2
GC Oven Program Oven temp 320oC
InChI InChI=1S/C17H16N2O2/c20-16-13-10-11-6-4-5-9-14(11)18-15(13)17(21)19(16)12-7-2-1-3-8-12/h4-6,9-10,12H,1-3,7-8H2
InChIKey GYSJRKVCOSPPKF-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-2020
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202201374
Quality 169
Reported Formula C17H16N2O2
SMILES C1(CCCCC1)N1C(C2=NC3=C(C=C2C1=O)C=CC=C3)=O
SPLASH splash10-0002-0920000000-60ff5e2f43a81f0dc718
Source of Spectrum K1-26-SM9-3g (DOI: 10.1002/ejoc.202201374)
Thin-Layer Chromatography 0.50 (CHCl3/EtOAc, 99:1)
Wiley ID 1910405