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4-Pyrrol4-[4-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-butyl]-piperazin-1-ylmorpho-benzonitrile
SpectraBase Compound ID J8MGgnxUV02
InChI InChI=1S/C23H24N4O2/c24-17-18-7-9-19(10-8-18)26-15-13-25(14-16-26)11-3-4-12-27-22(28)20-5-1-2-6-21(20)23(27)29/h1-2,5-10H,3-4,11-16H2
InChIKey SCQJRQDRUCGLBZ-UHFFFAOYSA-N
Mol Weight 388.47 g/mol
Molecular Formula C23H24N4O2
Exact Mass 388.189926 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4She3na1EiI
Name 4-Pyrrol4-[4-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-butyl]-piperazin-1-ylmorpho-benzonitrile
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 388.189926027 u
Formula C23H24N4O2
InChI InChI=1S/C23H24N4O2/c24-17-18-7-9-19(10-8-18)26-15-13-25(14-16-26)11-3-4-12-27-22(28)20-5-1-2-6-21(20)23(27)29/h1-2,5-10H,3-4,11-16H2
InChIKey SCQJRQDRUCGLBZ-UHFFFAOYSA-N
Molecular Weight 388.471 g/mol
SMILES C(N1CCN(CC1)C1=CC=C(C=C1)C#N)CCCN1C(C2=CC=CC=C2C1=O)=O