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AMINO-(2-METHYL-3-OXO-2,3-DIHYDRO-1H-ISOINDOL-1-YLIDENE)-ACETONITRILE;(E)-ISOMER
SpectraBase Compound ID 4LnwaApPEad
InChI InChI=1S/C11H9N3O/c1-14-10(9(13)6-12)7-4-2-3-5-8(7)11(14)15/h2-5H,13H2,1H3/b10-9+
InChIKey RHUKIHWPEVKNDM-MDZDMXLPSA-N
Mol Weight 199.21 g/mol
Molecular Formula C11H9N3O
Exact Mass 199.074562 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CbV692jMk8V
Name AMINO-(2-METHYL-3-OXO-2,3-DIHYDRO-1H-ISOINDOL-1-YLIDENE)-ACETONITRILE;(E)-ISOMER
Compound Number 7A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H9N3O
InChI InChI=1S/C11H9N3O/c1-14-10(9(13)6-12)7-4-2-3-5-8(7)11(14)15/h2-5H,13H2,1H3/b10-9+
InChIKey RHUKIHWPEVKNDM-MDZDMXLPSA-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 199.212 g/mol
Solvent DMSO-D6
Source File Reference UWVN22922