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PIPERIDINIUM_SALT_OF_ALPHA-CYANO-BETA-(3-HYDROXY-9-OXOPYRROLO-[1.2-A]-INDOL-2-YL)-ACRYLIC-ACID_NITRILE
SpectraBase Compound ID 4ptjvwzrkG1
InChI InChI=1S/C15H7N3O2.C5H11N/c16-7-9(8-17)5-10-6-13-14(19)11-3-1-2-4-12(11)18(13)15(10)20;1-2-4-6-5-3-1/h1-6,20H;6H,1-5H2
InChIKey XUZBHUNKHZNCEJ-UHFFFAOYSA-N
Mol Weight 346.39 g/mol
Molecular Formula C20H18N4O2
Exact Mass 346.142976 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F7wYBJjpdkf
Name PIPERIDINIUM_SALT_OF_ALPHA-CYANO-BETA-(3-HYDROXY-9-OXOPYRROLO-[1.2-A]-INDOL-2-YL)-ACRYLIC-ACID_NITRILE
Compound Number II-B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H18N4O2
InChI InChI=1S/C15H7N3O2.C5H11N/c16-7-9(8-17)5-10-6-13-14(19)11-3-1-2-4-12(11)18(13)15(10)20;1-2-4-6-5-3-1/h1-6,20H;6H,1-5H2
InChIKey XUZBHUNKHZNCEJ-UHFFFAOYSA-N
Literature Reference Author N.Z.TUGUSHEVA,S.Y.RYABOVA,N.P.SOLOVEVA,V.G.GRANIK
Literature Reference Citation CHEM.HET.COMP.,30,683(1994)
Literature Reference DOI 10.1007/bf01166309
Molecular Weight 346.389 g/mol
Solvent DMSO-D6
Source File Reference UWMZ13561