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3-(4-Chlorophenylamino)-6-methyl-4-triphenylphosphoranylidenamino-5-oxo-4,5-dihydro-1,2,4-triazine

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3-(4-Chlorophenylamino)-6-methyl-4-triphenylphosphoranylidenamino-5-oxo-4,5-dihydro-1,2,4-triazine
SpectraBase Compound ID HamteGXQTl3
InChI InChI=1S/C28H23ClN5OP/c1-21-27(35)34(28(32-31-21)30-23-19-17-22(29)18-20-23)33-36(24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-20H,1H3,(H,30,32)
InChIKey RZMBENZLGSHFRV-UHFFFAOYSA-N
Mol Weight 511.95 g/mol
Molecular Formula C28H23ClN5OP
Exact Mass 511.132875 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9jJWNgcoyaF
Name 3-(4-Chlorophenylamino)-6-methyl-4-triphenylphosphoranylidenamino-5-oxo-4,5-dihydro-1,2,4-triazine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 511.132875078 u
Formula C28H23ClN5OP
InChI InChI=1S/C28H23ClN5OP/c1-21-27(35)34(28(32-31-21)30-23-19-17-22(29)18-20-23)33-36(24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-20H,1H3,(H,30,32)
InChIKey RZMBENZLGSHFRV-UHFFFAOYSA-N
Molecular Weight 511.953 g/mol
SMILES C1(=NN=C(C(N1N=P(C=1C=CC=CC1)(C=1C=CC=CC1)C=1C=CC=CC1)=O)C)NC=1C=CC(=CC1)Cl