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2-Pyrrol4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butylmorpho-isoindole-1,3-dione

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2-Pyrrol4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butylmorpho-isoindole-1,3-dione
SpectraBase Compound ID Ef0zKYZGcS2
InChI InChI=1S/C23H27N3O3/c1-29-21-11-5-4-10-20(21)25-16-14-24(15-17-25)12-6-7-13-26-22(27)18-8-2-3-9-19(18)23(26)28/h2-5,8-11H,6-7,12-17H2,1H3
InChIKey SJDOMIRMMUGQQK-UHFFFAOYSA-N
Mol Weight 393.49 g/mol
Molecular Formula C23H27N3O3
Exact Mass 393.205242 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3VUN5nwFnk
Name 2-Pyrrol4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butylmorpho-isoindole-1,3-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 393.205241738 u
Formula C23H27N3O3
InChI InChI=1S/C23H27N3O3/c1-29-21-11-5-4-10-20(21)25-16-14-24(15-17-25)12-6-7-13-26-22(27)18-8-2-3-9-19(18)23(26)28/h2-5,8-11H,6-7,12-17H2,1H3
InChIKey SJDOMIRMMUGQQK-UHFFFAOYSA-N
Molecular Weight 393.487 g/mol
SMILES C1(N(C(C2=CC=CC=C12)=O)CCCCN1CCN(CC1)C1=C(OC)C=CC=C1)=O