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N-{3-[4-(2-furoyl)-1-piperazinyl]-1,4-dioxo-1,4-dihydro-2-naphthalenyl}acetamide

View entire compound with spectra: 3 NMR, and 1 MS (GC)

N-{3-[4-(2-furoyl)-1-piperazinyl]-1,4-dioxo-1,4-dihydro-2-naphthalenyl}acetamide
SpectraBase Compound ID 9liTkGXKTFY
InChI InChI=1S/C21H19N3O5/c1-13(25)22-17-18(20(27)15-6-3-2-5-14(15)19(17)26)23-8-10-24(11-9-23)21(28)16-7-4-12-29-16/h2-7,12H,8-11H2,1H3,(H,22,25)
InChIKey CLLLBHNSDIBSIX-UHFFFAOYSA-N
Mol Weight 393.4 g/mol
Molecular Formula C21H19N3O5
Exact Mass 393.132471 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HvwJzXUaMjS
Name N-(3-[4-(Furan-2-carbonyl)-piperazin-1-yl]-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)-acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 393.132470719 u
Formula C21H19N3O5
InChI InChI=1S/C21H19N3O5/c1-13(25)22-17-18(20(27)15-6-3-2-5-14(15)19(17)26)23-8-10-24(11-9-23)21(28)16-7-4-12-29-16/h2-7,12H,8-11H2,1H3,(H,22,25)
InChIKey CLLLBHNSDIBSIX-UHFFFAOYSA-N
Molecular Weight 393.399 g/mol
SMILES C1(=C(C(=O)C=2C(C1=O)=CC=CC2)N1CCN(C(C=2OC=CC2)=O)CC1)NC(C)=O