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Diphenyl 1-benzyloxycarbonylamino-3-methylthio-propylphosphonate
SpectraBase Compound ID Abo5qtwRhZI
InChI InChI=1S/C24H26NO5PS/c1-32-18-17-23(25-24(26)28-19-20-11-5-2-6-12-20)31(27,29-21-13-7-3-8-14-21)30-22-15-9-4-10-16-22/h2-16,23H,17-19H2,1H3,(H,25,26)
InChIKey ITWOROPOPWTYQW-UHFFFAOYSA-N
Mol Weight 471.51 g/mol
Molecular Formula C24H26NO5PS
Exact Mass 471.126931 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hn5XH8TDItQ
Name Diphenyl 1-benzyloxycarbonylamino-3-methylthio-propylphosphonate
Comments Computed using HOSE algorithm
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Exact Mass 471.126931108 u
Formula C24H26NO5PS
InChI InChI=1S/C24H26NO5PS/c1-32-18-17-23(25-24(26)28-19-20-11-5-2-6-12-20)31(27,29-21-13-7-3-8-14-21)30-22-15-9-4-10-16-22/h2-16,23H,17-19H2,1H3,(H,25,26)
InChIKey ITWOROPOPWTYQW-UHFFFAOYSA-N
Molecular Weight 471.508 g/mol
SMILES C(C(NC(=O)OCC=1C=CC=CC1)P(OC1=CC=CC=C1)(=O)OC1=CC=CC=C1)CSC