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1-[4-(Furan-2-carbonyl)piperazin-1-yl]-2-phenylethane-1,2-dione
SpectraBase Compound ID IeNVClNP0Tc
InChI InChI=1S/C17H16N2O4/c20-15(13-5-2-1-3-6-13)17(22)19-10-8-18(9-11-19)16(21)14-7-4-12-23-14/h1-7,12H,8-11H2
InChIKey JPDLTPRAXMYYFF-UHFFFAOYSA-N
Mol Weight 312.33 g/mol
Molecular Formula C17H16N2O4
Exact Mass 312.111007 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E0B2oY7sOaS
Name 1-[4-(Furan-2-carbonyl)piperazin-1-yl]-2-phenylethane-1,2-dione
Comments Computed using HOSE algorithm
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Exact Mass 312.111006999 u
Formula C17H16N2O4
InChI InChI=1S/C17H16N2O4/c20-15(13-5-2-1-3-6-13)17(22)19-10-8-18(9-11-19)16(21)14-7-4-12-23-14/h1-7,12H,8-11H2
InChIKey JPDLTPRAXMYYFF-UHFFFAOYSA-N
Molecular Weight 312.325 g/mol
SMILES C(C(=O)C1=CC=CC=C1)(=O)N1CCN(CC1)C(=O)C=1OC=CC1