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2-Pyrrol6-[4-(2-chloro-phenyl)-piperazin-1-yl]-hexylmorpho-isoindole-1,3-dione

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2-Pyrrol6-[4-(2-chloro-phenyl)-piperazin-1-yl]-hexylmorpho-isoindole-1,3-dione
SpectraBase Compound ID 7nITCdxh2E
InChI InChI=1S/C24H28ClN3O2/c25-21-11-5-6-12-22(21)27-17-15-26(16-18-27)13-7-1-2-8-14-28-23(29)19-9-3-4-10-20(19)24(28)30/h3-6,9-12H,1-2,7-8,13-18H2
InChIKey FRHUNCAUJIUCKY-UHFFFAOYSA-N
Mol Weight 425.96 g/mol
Molecular Formula C24H28ClN3O2
Exact Mass 425.187005 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KovCnWJV7g8
Name 2-Pyrrol6-[4-(2-chloro-phenyl)-piperazin-1-yl]-hexylmorpho-isoindole-1,3-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 425.187004852 u
Formula C24H28ClN3O2
InChI InChI=1S/C24H28ClN3O2/c25-21-11-5-6-12-22(21)27-17-15-26(16-18-27)13-7-1-2-8-14-28-23(29)19-9-3-4-10-20(19)24(28)30/h3-6,9-12H,1-2,7-8,13-18H2
InChIKey FRHUNCAUJIUCKY-UHFFFAOYSA-N
Molecular Weight 425.960 g/mol
SMILES C(CCCCN1C(C2=C(C1=O)C=CC=C2)=O)CN1CCN(CC1)C1=C(C=CC=C1)Cl