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N-(4-Bromo-2-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
SpectraBase Compound ID ALWGTYCvx3b
InChI InChI=1S/C17H17BrClN3O3/c18-12-3-4-14(13(19)10-12)20-16(23)11-21-5-7-22(8-6-21)17(24)15-2-1-9-25-15/h1-4,9-10H,5-8,11H2,(H,20,23)
InChIKey BABBCLCJDRUROV-UHFFFAOYSA-N
Mol Weight 426.7 g/mol
Molecular Formula C17H17BrClN3O3
Exact Mass 425.014182 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FPmxfppzqBN
Name N-(4-Bromo-2-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
Comments Computed using HOSE algorithm
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Exact Mass 425.014182116 u
Formula C17H17BrClN3O3
InChI InChI=1S/C17H17BrClN3O3/c18-12-3-4-14(13(19)10-12)20-16(23)11-21-5-7-22(8-6-21)17(24)15-2-1-9-25-15/h1-4,9-10H,5-8,11H2,(H,20,23)
InChIKey BABBCLCJDRUROV-UHFFFAOYSA-N
Molecular Weight 426.698 g/mol
SMILES C(CN1CCN(CC1)C(=O)C=1OC=CC1)(=O)NC1=C(C=C(C=C1)Br)Cl