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N-{3-chloro-4-[4-(2-furoyl)-1-piperazinyl]phenyl}-2,2-dimethylpropanamide
SpectraBase Compound ID BlBvOXJfpgY
InChI InChI=1S/C20H24ClN3O3/c1-20(2,3)19(26)22-14-6-7-16(15(21)13-14)23-8-10-24(11-9-23)18(25)17-5-4-12-27-17/h4-7,12-13H,8-11H2,1-3H3,(H,22,26)
InChIKey KXSNYWKIPODQBJ-UHFFFAOYSA-N
Mol Weight 389.88 g/mol
Molecular Formula C20H24ClN3O3
Exact Mass 389.150619 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 65Tye4pNAXe
Name N-{3-Chloro-4-[4-(2-furoyl)-1-piperazinyl]phenyl}-2,2-dimethylpropanamide
Comments Computed using HOSE algorithm
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Exact Mass 389.150619342 u
Formula C20H24ClN3O3
InChI InChI=1S/C20H24ClN3O3/c1-20(2,3)19(26)22-14-6-7-16(15(21)13-14)23-8-10-24(11-9-23)18(25)17-5-4-12-27-17/h4-7,12-13H,8-11H2,1-3H3,(H,22,26)
InChIKey KXSNYWKIPODQBJ-UHFFFAOYSA-N
Molecular Weight 389.883 g/mol
SMILES N(C(C(C)(C)C)=O)C=1C=CC(N2CCN(C(C=3OC=CC3)=O)CC2)=C(C1)Cl