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

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2-Pyrrol4-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-butylmorpho-isoindole-1,3-dione
SpectraBase Compound ID 6IOphuQDOL3
InChI InChI=1S/C23H24F3N3O2/c24-23(25,26)17-6-5-7-18(16-17)28-14-12-27(13-15-28)10-3-4-11-29-21(30)19-8-1-2-9-20(19)22(29)31/h1-2,5-9,16H,3-4,10-15H2
InChIKey GHYJIOTZARHDLR-UHFFFAOYSA-N
Mol Weight 431.46 g/mol
Molecular Formula C23H24F3N3O2
Exact Mass 431.182062 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2MukAgktijM
Name 2-Pyrrol4-[4-(3-trifluoromethyl-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 431.182061512 u
Formula C23H24F3N3O2
InChI InChI=1S/C23H24F3N3O2/c24-23(25,26)17-6-5-7-18(16-17)28-14-12-27(13-15-28)10-3-4-11-29-21(30)19-8-1-2-9-20(19)22(29)31/h1-2,5-9,16H,3-4,10-15H2
InChIKey GHYJIOTZARHDLR-UHFFFAOYSA-N
Molecular Weight 431.459 g/mol
SMILES C1(N(C(C2=CC=CC=C12)=O)CCCCN1CCN(CC1)C=1C=C(C(F)(F)F)C=CC1)=O