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4(3H)-pyrimidinone, 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-6-methyl-
SpectraBase Compound ID 7ApFJI48Slv
InChI InChI=1S/C17H20N4O3/c1-12-8-16(22)19-17(18-12)21-6-4-20(5-7-21)10-13-2-3-14-15(9-13)24-11-23-14/h2-3,8-9H,4-7,10-11H2,1H3,(H,18,19,22)
InChIKey MLPAGJMOIKIIJJ-UHFFFAOYSA-N
Mol Weight 328.37 g/mol
Molecular Formula C17H20N4O3
Exact Mass 328.153541 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 832smX531DK
Name 4(3H)-Pyrimidinone, 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-6-methyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 328.153540517 u
Formula C17H20N4O3
InChI InChI=1S/C17H20N4O3/c1-12-8-16(22)19-17(18-12)21-6-4-20(5-7-21)10-13-2-3-14-15(9-13)24-11-23-14/h2-3,8-9H,4-7,10-11H2,1H3,(H,18,19,22)
InChIKey MLPAGJMOIKIIJJ-UHFFFAOYSA-N
Molecular Weight 328.372 g/mol
SMILES N1C(C=C(N=C1N1CCN(CC1)CC=1C=C2OCOC2=CC1)C)=O