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N-(9,10-dioxo-9,10-dihydro-2-anthracenyl)cyclohexanecarboxamide

View entire compound with spectra: 2 NMR

N-(9,10-dioxo-9,10-dihydro-2-anthracenyl)cyclohexanecarboxamide
SpectraBase Compound ID 8fjaKF1GvjN
InChI InChI=1S/C21H19NO3/c23-19-15-8-4-5-9-16(15)20(24)18-12-14(10-11-17(18)19)22-21(25)13-6-2-1-3-7-13/h4-5,8-13H,1-3,6-7H2,(H,22,25)
InChIKey AIYJAHBQSKVRQL-UHFFFAOYSA-N
Mol Weight 333.39 g/mol
Molecular Formula C21H19NO3
Exact Mass 333.136493 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E9mCAp6WWn8
Name N-(9,10-Dioxo-9,10-dihydro-2-anthracenyl)cyclohexanecarboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 333.136493473 u
Formula C21H19NO3
InChI InChI=1S/C21H19NO3/c23-19-15-8-4-5-9-16(15)20(24)18-12-14(10-11-17(18)19)22-21(25)13-6-2-1-3-7-13/h4-5,8-13H,1-3,6-7H2,(H,22,25)
InChIKey AIYJAHBQSKVRQL-UHFFFAOYSA-N
Molecular Weight 333.387 g/mol
SMILES N(C(=O)C1CCCCC1)C1=CC=2C(C3=CC=CC=C3C(C2C=C1)=O)=O