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1-(3-Chloro-4-methylphenyl)-3-[4-(2-pyrimidinyl)-1-piperazinyl]-2,5-pyrrolidinedione

View entire compound with spectra: 2 NMR

1-(3-Chloro-4-methylphenyl)-3-[4-(2-pyrimidinyl)-1-piperazinyl]-2,5-pyrrolidinedione
SpectraBase Compound ID 8qflvoo7KnT
InChI InChI=1S/C19H20ClN5O2/c1-13-3-4-14(11-15(13)20)25-17(26)12-16(18(25)27)23-7-9-24(10-8-23)19-21-5-2-6-22-19/h2-6,11,16H,7-10,12H2,1H3
InChIKey HEAQIRBRCDQADY-UHFFFAOYSA-N
Mol Weight 385.86 g/mol
Molecular Formula C19H20ClN5O2
Exact Mass 385.130553 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ba7lW3ICJd0
Name 1-(3-Chloro-4-methylphenyl)-3-[4-(2-pyrimidinyl)-1-piperazinyl]-2,5-pyrrolidinedione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 385.130552602 u
Formula C19H20ClN5O2
InChI InChI=1S/C19H20ClN5O2/c1-13-3-4-14(11-15(13)20)25-17(26)12-16(18(25)27)23-7-9-24(10-8-23)19-21-5-2-6-22-19/h2-6,11,16H,7-10,12H2,1H3
InChIKey HEAQIRBRCDQADY-UHFFFAOYSA-N
Molecular Weight 385.855 g/mol
SMILES CC=1C=CC(N2C(C(N3CCN(C4=NC=CC=N4)CC3)CC2=O)=O)=CC1Cl