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4-bromo-N-(9,10-dioxo-9,10-dihydro-1-anthracenyl)-1-ethyl-1H-pyrazole-3-carboxamide

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4-bromo-N-(9,10-dioxo-9,10-dihydro-1-anthracenyl)-1-ethyl-1H-pyrazole-3-carboxamide
SpectraBase Compound ID 6IqOPyNPF5b
InChI InChI=1S/C20H14BrN3O3/c1-2-24-10-14(21)17(23-24)20(27)22-15-9-5-8-13-16(15)19(26)12-7-4-3-6-11(12)18(13)25/h3-10H,2H2,1H3,(H,22,27)
InChIKey LJNKMTLCGRWMKH-UHFFFAOYSA-N
Mol Weight 424.25 g/mol
Molecular Formula C20H14BrN3O3
Exact Mass 423.021854 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GR3XYMfFUAI
Name 4-Bromo-N-(9,10-dioxo-9,10-dihydro-1-anthracenyl)-1-ethyl-1H-pyrazole-3-carboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 423.021854320 u
Formula C20H14BrN3O3
InChI InChI=1S/C20H14BrN3O3/c1-2-24-10-14(21)17(23-24)20(27)22-15-9-5-8-13-16(15)19(26)12-7-4-3-6-11(12)18(13)25/h3-10H,2H2,1H3,(H,22,27)
InChIKey LJNKMTLCGRWMKH-UHFFFAOYSA-N
Molecular Weight 424.254 g/mol
SMILES N(C(C=1C(=CN(N1)CC)Br)=O)C=1C=2C(C=3C=CC=CC3C(C2C=CC1)=O)=O