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3-(5,6-Dimethylbenzoimidazol-1-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
SpectraBase Compound ID KypYE8xo7iF
InChI InChI=1S/C21H24N4O3/c1-15-12-17-18(13-16(15)2)25(14-22-17)6-5-20(26)23-7-9-24(10-8-23)21(27)19-4-3-11-28-19/h3-4,11-14H,5-10H2,1-2H3
InChIKey ZYTFJBQZXVIZSI-UHFFFAOYSA-N
Mol Weight 380.45 g/mol
Molecular Formula C21H24N4O3
Exact Mass 380.184841 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1EH8wc4Zl9g
Name 3-(5,6-Dimethylbenzoimidazol-1-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 380.184840646 u
Formula C21H24N4O3
InChI InChI=1S/C21H24N4O3/c1-15-12-17-18(13-16(15)2)25(14-22-17)6-5-20(26)23-7-9-24(10-8-23)21(27)19-4-3-11-28-19/h3-4,11-14H,5-10H2,1-2H3
InChIKey ZYTFJBQZXVIZSI-UHFFFAOYSA-N
Molecular Weight 380.448 g/mol
SMILES C12=C(N=CN2CCC(N2CCN(CC2)C(C2=CC=CO2)=O)=O)C=C(C(=C1)C)C