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8-[4-(3-chlorophenyl)-1-piperazinyl]-3-methyl-7-octyl-3,7-dihydro-1H-purine-2,6-dione

View entire compound with spectra: 2 NMR

8-[4-(3-chlorophenyl)-1-piperazinyl]-3-methyl-7-octyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID Cm3Yfsfpu5N
InChI InChI=1S/C24H33ClN6O2/c1-3-4-5-6-7-8-12-31-20-21(28(2)24(33)27-22(20)32)26-23(31)30-15-13-29(14-16-30)19-11-9-10-18(25)17-19/h9-11,17H,3-8,12-16H2,1-2H3,(H,27,32,33)
InChIKey PHNGHKJRSFYHOZ-UHFFFAOYSA-N
Mol Weight 473.0 g/mol
Molecular Formula C24H33ClN6O2
Exact Mass 472.235352 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2FqzrbO5Xga
Name 8-[4-(3-Chlorophenyl)-1-piperazinyl]-3-methyl-7-octyl-3,7-dihydro-1H-purine-2,6-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 472.235352025 u
Formula C24H33ClN6O2
InChI InChI=1S/C24H33ClN6O2/c1-3-4-5-6-7-8-12-31-20-21(28(2)24(33)27-22(20)32)26-23(31)30-15-13-29(14-16-30)19-11-9-10-18(25)17-19/h9-11,17H,3-8,12-16H2,1-2H3,(H,27,32,33)
InChIKey PHNGHKJRSFYHOZ-UHFFFAOYSA-N
Molecular Weight 473.021 g/mol
SMILES N1C(C2=C(N(C1=O)C)N=C(N2CCCCCCCC)N1CCN(CC1)C=1C=C(Cl)C=CC1)=O