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2-Pyrrol5-[4-(2,4-dimethyl-phenyl)-piperazin-1-yl]-pentylmorpho-isoindole-1,3-dione

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2-Pyrrol5-[4-(2,4-dimethyl-phenyl)-piperazin-1-yl]-pentylmorpho-isoindole-1,3-dione
SpectraBase Compound ID LnQcUgKnsOK
InChI InChI=1S/C25H31N3O2/c1-19-10-11-23(20(2)18-19)27-16-14-26(15-17-27)12-6-3-7-13-28-24(29)21-8-4-5-9-22(21)25(28)30/h4-5,8-11,18H,3,6-7,12-17H2,1-2H3
InChIKey COIGYOPKABDLQW-UHFFFAOYSA-N
Mol Weight 405.54 g/mol
Molecular Formula C25H31N3O2
Exact Mass 405.241627 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EmfrGiVQ0UZ
Name 2-Pyrrol5-[4-(2,4-dimethyl-phenyl)-piperazin-1-yl]-pentylmorpho-isoindole-1,3-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 405.241627248 u
Formula C25H31N3O2
InChI InChI=1S/C25H31N3O2/c1-19-10-11-23(20(2)18-19)27-16-14-26(15-17-27)12-6-3-7-13-28-24(29)21-8-4-5-9-22(21)25(28)30/h4-5,8-11,18H,3,6-7,12-17H2,1-2H3
InChIKey COIGYOPKABDLQW-UHFFFAOYSA-N
Molecular Weight 405.542 g/mol
SMILES C1=CC=C2C(=C1)C(N(C2=O)CCCCCN1CCN(CC1)C1=C(C=C(C=C1)C)C)=O