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2-[6-(4-o-Tolyl-piperazin-1-yl)-hexyl]-benzo[de]isoquinoline-1,3-dione

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2-[6-(4-o-Tolyl-piperazin-1-yl)-hexyl]-benzo[de]isoquinoline-1,3-dione
SpectraBase Compound ID 9do8t8XROD9
InChI InChI=1S/C29H33N3O2/c1-22-10-4-5-15-26(22)31-20-18-30(19-21-31)16-6-2-3-7-17-32-28(33)24-13-8-11-23-12-9-14-25(27(23)24)29(32)34/h4-5,8-15H,2-3,6-7,16-21H2,1H3
InChIKey XLNTWIUCJSNWCQ-UHFFFAOYSA-N
Mol Weight 455.6 g/mol
Molecular Formula C29H33N3O2
Exact Mass 455.257277 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FLuVhn6ncvX
Name 2-[6-(4-o-Tolyl-piperazin-1-yl)-hexyl]-benzo[de]isoquinoline-1,3-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 455.257277313 u
Formula C29H33N3O2
InChI InChI=1S/C29H33N3O2/c1-22-10-4-5-15-26(22)31-20-18-30(19-21-31)16-6-2-3-7-17-32-28(33)24-13-8-11-23-12-9-14-25(27(23)24)29(32)34/h4-5,8-15H,2-3,6-7,16-21H2,1H3
InChIKey XLNTWIUCJSNWCQ-UHFFFAOYSA-N
Molecular Weight 455.602 g/mol
SMILES C12=CC=CC3=C2C(=CC=C3)C(N(C1=O)CCCCCCN1CCN(CC1)C1=C(C=CC=C1)C)=O