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AMINO-[3-OXO-2-(PYRIDIN-3-YLMETHYL)-2,3-DIHYDRO-1H-ISOINDOL-1-YLIDENE]-ACETONITRILE;(E)-ISOMER
SpectraBase Compound ID K2vIaqPNcxQ
InChI InChI=1S/C16H12N4O/c17-8-14(18)15-12-5-1-2-6-13(12)16(21)20(15)10-11-4-3-7-19-9-11/h1-7,9H,10,18H2/b15-14+
InChIKey AGSYEKRKYFPEKN-CCEZHUSRSA-N
Mol Weight 276.3 g/mol
Molecular Formula C16H12N4O
Exact Mass 276.101111 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6y6zwGktB3T
Name AMINO-[3-OXO-2-(PYRIDIN-3-YLMETHYL)-2,3-DIHYDRO-1H-ISOINDOL-1-YLIDENE]-ACETONITRILE;(E)-ISOMER
Compound Number 7G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H12N4O
InChI InChI=1S/C16H12N4O/c17-8-14(18)15-12-5-1-2-6-13(12)16(21)20(15)10-11-4-3-7-19-9-11/h1-7,9H,10,18H2/b15-14+
InChIKey AGSYEKRKYFPEKN-CCEZHUSRSA-N
Literature Reference Author T.OPATZ,D.FERENC
Literature Reference Citation J.ORG.CHEM.,69,8496(2004)
Literature Reference DOI 10.1021/jo0486802
Molecular Weight 276.297 g/mol
Solvent DMSO-D6
Source File Reference UWVN22931