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N-METHYL-(ORTHO-CHLOROPHENYL)-N'-(2,3-DIHYDRO-2-OXIDO-5-BENZOYL-1H-1,3,2-BENZODIAZAPHOSPHOL-2-YL)-UREA
SpectraBase Compound ID 6VPy8VgG4mD
InChI InChI=1S/2C21H18ClN4O3P/c2*22-17-9-5-4-8-16(17)13-23-21(28)26-30(29)24-18-11-10-15(12-19(18)25-30)20(27)14-6-2-1-3-7-14/h2*1-12H,13H2,(H4,23,24,25,26,28,29)
InChIKey YKEOMTCTSBMLMB-UHFFFAOYSA-N
Mol Weight 881.65 g/mol
Molecular Formula C42H36Cl2N8O6P2
Exact Mass 880.16101 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GYReibfdJTX
Name N-METHYL-(ORTHO-CHLOROPHENYL)-N'-(2,3-DIHYDRO-2-OXIDO-5-BENZOYL-1H-1,3,2-BENZODIAZAPHOSPHOL-2-YL)-UREA
Compound Number 5F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H36Cl2N8O6P2
InChI InChI=1S/2C21H18ClN4O3P/c2*22-17-9-5-4-8-16(17)13-23-21(28)26-30(29)24-18-11-10-15(12-19(18)25-30)20(27)14-6-2-1-3-7-14/h2*1-12H,13H2,(H4,23,24,25,26,28,29)
InChIKey YKEOMTCTSBMLMB-UHFFFAOYSA-N
Literature Reference Author P.V.G.REDDY,C.S.REDDY,C.N.RAJU
Literature Reference Citation CHEM.PHARM.BULL.,51,860(2003)
Literature Reference DOI 10.1248/cpb.51.860
Molecular Weight 881.651 g/mol
Solvent DMSO-D6
Source File Reference UWLU20079