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(2E)-2(1-Acetyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-N-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(4-chlorophenyl)-4-oxobutanamide

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

(2E)-2(1-Acetyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-N-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(4-chlorophenyl)-4-oxobutanamide
SpectraBase Compound ID 4XYpFAv4MJ7
InChI InChI=1S/C28H18ClN3O6/c1-15(33)31-22-9-5-4-8-20(22)24(28(31)38)21(14-23(34)16-10-12-17(29)13-11-16)25(35)30-32-26(36)18-6-2-3-7-19(18)27(32)37/h2-13H,14H2,1H3,(H,30,35)/b24-21+
InChIKey HNLNNXPCBPNSDO-DARPEHSRSA-N
Mol Weight 527.92 g/mol
Molecular Formula C28H18ClN3O6
Exact Mass 527.088413 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LZov769Wqit
Name (2E)-2(1-Acetyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-N-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(4-chlorophenyl)-4-oxobutanamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 527.088413006 u
Formula C28H18ClN3O6
InChI InChI=1S/C28H18ClN3O6/c1-15(33)31-22-9-5-4-8-20(22)24(28(31)38)21(14-23(34)16-10-12-17(29)13-11-16)25(35)30-32-26(36)18-6-2-3-7-19(18)27(32)37/h2-13H,14H2,1H3,(H,30,35)/b24-21+
InChIKey HNLNNXPCBPNSDO-DARPEHSRSA-N
Molecular Weight 527.920 g/mol
SMILES C1(\C(=C/(CC(C2=CC=C(C=C2)Cl)=O)C(NN2C(C3=C(C2=O)C=CC=C3)=O)=O)C=2C=CC=CC2N1C(C)=O)=O