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1-Methyl-cyclohexanecarboxylic acid (9,10-dioxo-9,10-dihydro-anthracen-1-yl)-amide

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1-Methyl-cyclohexanecarboxylic acid (9,10-dioxo-9,10-dihydro-anthracen-1-yl)-amide
SpectraBase Compound ID LQnlyMRbYhB
InChI InChI=1S/C22H21NO3/c1-22(12-5-2-6-13-22)21(26)23-17-11-7-10-16-18(17)20(25)15-9-4-3-8-14(15)19(16)24/h3-4,7-11H,2,5-6,12-13H2,1H3,(H,23,26)
InChIKey FYHMJTKRBOEEAJ-UHFFFAOYSA-N
Mol Weight 347.41 g/mol
Molecular Formula C22H21NO3
Exact Mass 347.152144 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4sTFEe69i6W
Name 1-Methyl-cyclohexanecarboxylic acid (9,10-dioxo-9,10-dihydro-anthracen-1-yl)-amide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 347.152143537 u
Formula C22H21NO3
InChI InChI=1S/C22H21NO3/c1-22(12-5-2-6-13-22)21(26)23-17-11-7-10-16-18(17)20(25)15-9-4-3-8-14(15)19(16)24/h3-4,7-11H,2,5-6,12-13H2,1H3,(H,23,26)
InChIKey FYHMJTKRBOEEAJ-UHFFFAOYSA-N
Molecular Weight 347.414 g/mol
SMILES C=12C(C3=CC=CC=C3C(C1C=CC=C2NC(C1(C)CCCCC1)=O)=O)=O