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4(1H)-quinazolinone, 2-[[4-(2-furanylcarbonyl)-1-piperazinyl]methyl]-
SpectraBase Compound ID 1lTzOjNFUv1
InChI InChI=1S/C18H18N4O3/c23-17-13-4-1-2-5-14(13)19-16(20-17)12-21-7-9-22(10-8-21)18(24)15-6-3-11-25-15/h1-6,11H,7-10,12H2,(H,19,20,23)
InChIKey PSPHDQZOAXBEFE-UHFFFAOYSA-N
Mol Weight 338.37 g/mol
Molecular Formula C18H18N4O3
Exact Mass 338.13789 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KylBdf4TfJk
Name 4(1H)-Quinazolinone, 2-[[4-(2-furanylcarbonyl)-1-piperazinyl]methyl]-
Comments Computed using HOSE algorithm
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Exact Mass 338.137890453 u
Formula C18H18N4O3
InChI InChI=1S/C18H18N4O3/c23-17-13-4-1-2-5-14(13)19-16(20-17)12-21-7-9-22(10-8-21)18(24)15-6-3-11-25-15/h1-6,11H,7-10,12H2,(H,19,20,23)
InChIKey PSPHDQZOAXBEFE-UHFFFAOYSA-N
Molecular Weight 338.367 g/mol
SMILES N1C2=CC=CC=C2C(N=C1CN1CCN(C(C=2OC=CC2)=O)CC1)=O