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1,3-bis(p-chlorophenyl)dihydro-5-methyl-6-piperidino-s-triazine-2,4(1H,3H)-dione
SpectraBase Compound ID Lvgw3Q7L5pE
InChI InChI=1S/C21H22Cl2N4O2/c1-24-19(25-13-3-2-4-14-25)26(17-9-5-15(22)6-10-17)21(29)27(20(24)28)18-11-7-16(23)8-12-18/h5-12,19H,2-4,13-14H2,1H3
InChIKey JMNARFGEYYXYIH-UHFFFAOYSA-N
Mol Weight 433.34 g/mol
Molecular Formula C21H22Cl2N4O2
Exact Mass 432.111981 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cf2n5ITdvBR
Name 1,3-bis(p-Chlorophenyl)dihydro-5-methyl-6-piperidino-S-triazine-2,4(1H,3H)-dione
Comments Computed using HOSE algorithm
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Exact Mass 432.111981362 u
Formula C21H22Cl2N4O2
InChI InChI=1S/C21H22Cl2N4O2/c1-24-19(25-13-3-2-4-14-25)26(17-9-5-15(22)6-10-17)21(29)27(20(24)28)18-11-7-16(23)8-12-18/h5-12,19H,2-4,13-14H2,1H3
InChIKey JMNARFGEYYXYIH-UHFFFAOYSA-N
Molecular Weight 433.339 g/mol
SMILES C1N(CCCC1)C1N(C(N(C(N1C)=O)C=1C=CC(=CC1)Cl)=O)C=1C=CC(=CC1)Cl