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N-(4-heptylamino-9,10-dioxo-9,10-dihydro-anthracen-1-yl)-benzamide

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N-(4-heptylamino-9,10-dioxo-9,10-dihydro-anthracen-1-yl)-benzamide
SpectraBase Compound ID Ja1Y31nWyXW
InChI InChI=1S/C28H28N2O3/c1-2-3-4-5-11-18-29-22-16-17-23(30-28(33)19-12-7-6-8-13-19)25-24(22)26(31)20-14-9-10-15-21(20)27(25)32/h6-10,12-17,29H,2-5,11,18H2,1H3,(H,30,33)
InChIKey QANXKSWIKOQJGO-UHFFFAOYSA-N
Mol Weight 440.54 g/mol
Molecular Formula C28H28N2O3
Exact Mass 440.209993 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2BZVPpVcQ0G
Name N-(4-Heptylamino-9,10-dioxo-9,10-dihydro-anthracen-1-yl)-benzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 440.209992767 u
Formula C28H28N2O3
InChI InChI=1S/C28H28N2O3/c1-2-3-4-5-11-18-29-22-16-17-23(30-28(33)19-12-7-6-8-13-19)25-24(22)26(31)20-14-9-10-15-21(20)27(25)32/h6-10,12-17,29H,2-5,11,18H2,1H3,(H,30,33)
InChIKey QANXKSWIKOQJGO-UHFFFAOYSA-N
Molecular Weight 440.543 g/mol
SMILES C=1C2=C(C(C3=C(C2=O)C(=CC=C3NC(=O)C=2C=CC=CC2)NCCCCCCC)=O)C=CC1