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ethyl (2E,4E)-2-cyano-5-(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-yl)penta-2,4-dienoate
SpectraBase Compound ID LqRxfauvBaT
InChI InChI=1S/C20H22N2O2/c1-2-24-20(23)18(14-21)7-3-6-15-12-16-8-4-10-22-11-5-9-17(13-15)19(16)22/h3,6-7,12-13H,2,4-5,8-11H2,1H3/b6-3+,18-7+
InChIKey MBASIUWNCDZAOE-UTTREHKUSA-N
Mol Weight 322.41 g/mol
Molecular Formula C20H22N2O2
Exact Mass 322.168128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CCwV3NiyGKq
Name ethyl (2E,4E)-2-cyano-5-(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-yl)penta-2,4-dienoate
Appearance Red crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 322.168127954 u
Formula C20H22N2O2
InChI InChI=1S/C20H22N2O2/c1-2-24-20(23)18(14-21)7-3-6-15-12-16-8-4-10-22-11-5-9-17(13-15)19(16)22/h3,6-7,12-13H,2,4-5,8-11H2,1H3/b6-3+,18-7+
InChIKey MBASIUWNCDZAOE-UTTREHKUSA-N
Instrument Name Finnigan MAT 8200
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202200163
Molecular Weight 322.408 g/mol
SMILES C12=C3C=C(C=C2CCCN1CCC3)\C=C\C=C\(C(=O)OCC)C#N
SPLASH splash10-00di-0094000000-e69083f682015333b9d0
Source of Spectrum K1-2022-SM39-11 (DOI: 10.1002/ejoc.202200163)
Thin-Layer Chromatography 0.47 (dichloromethane)
Wiley ID 1898748