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(2E)-2-cyano-2-(2-ketoindolin-3-ylidene)acetic acid methyl ester
SpectraBase Compound ID LfDZnFYDWV5
InChI InChI=1S/C12H8N2O3/c1-17-12(16)8(6-13)10-7-4-2-3-5-9(7)14-11(10)15/h2-5H,1H3,(H,14,15)/b10-8+
InChIKey JGRPHENITJTVGB-CSKARUKUSA-N
Mol Weight 228.21 g/mol
Molecular Formula C12H8N2O3
Exact Mass 228.053492 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 19WeMoS54vU
Name (2E)-2-cyano-2-(2-ketoindolin-3-ylidene)acetic acid methyl ester
Compound Number (Z)-14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H8N2O3
InChI InChI=1S/C12H8N2O3/c1-17-12(16)8(6-13)10-7-4-2-3-5-9(7)14-11(10)15/h2-5H,1H3,(H,14,15)/b10-8+
InChIKey JGRPHENITJTVGB-CSKARUKUSA-N
Literature Reference Author M.S.MORALES-RIOS,M.GARCIA-VELGARA,H.CERVANTES-CUEVAS,C.ALVAR EZ-CISNEROS,P.JOSEPH
Literature Reference Citation MAGN.RES.CHEM.,38,172(2000)
Literature Reference DOI 10.1002/(sici)1097-458x(200003)38:3<172::aid-mrc618>3.3.co;2-4
Molecular Weight 228.207 g/mol
Solvent DMSO-D6
Source File Reference UWBS1215