John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=39jPjnlLKBI SpectraBase Spectrum ID=2b0gnDAch3X

(accessed ).
(Z)-[(3,5-DIMETHYL-4-(2-CARBOXYETHYL)-1H-PYRROL-2-YL)-METHYLIDENYL]-ISOINDOLINONE
SpectraBase Compound ID 39jPjnlLKBI
InChI InChI=1S/C18H18N2O3/c1-10-12(7-8-17(21)22)11(2)19-15(10)9-16-13-5-3-4-6-14(13)18(23)20-16/h3-6,9,19H,7-8H2,1-2H3,(H,20,23)(H,21,22)/b16-9-
InChIKey OLBPTGGHBMPOHF-SXGWCWSVSA-N
Mol Weight 310.35 g/mol
Molecular Formula C18H18N2O3
Exact Mass 310.131743 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2b0gnDAch3X
Name (Z)-[(3,5-DIMETHYL-4-(2-CARBOXYETHYL)-1H-PYRROL-2-YL)-METHYLIDENYL]-ISOINDOLINONE
Compound Number 1A
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H18N2O3
InChI InChI=1S/C18H18N2O3/c1-10-12(7-8-17(21)22)11(2)19-15(10)9-16-13-5-3-4-6-14(13)18(23)20-16/h3-6,9,19H,7-8H2,1-2H3,(H,20,23)(H,21,22)/b16-9-
InChIKey OLBPTGGHBMPOHF-SXGWCWSVSA-N
Literature Reference Author B.E.BOIADJIEV,D.A.LIGHTNER
Literature Reference Citation J.HETCYCL.CHEM.,40,181(2003)
Literature Reference DOI 10.1002/jhet.5570400127
Molecular Weight 310.353 g/mol
Solvent DMSO-D6
Source File Reference UWMS22392
SpectraBase Batch ID KIZq8KlqwFm