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3-Benzoyl-5-(1'-diphenylphosphinoylethyl)-2-phenylisoxazolidine isomer

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3-Benzoyl-5-(1'-diphenylphosphinoylethyl)-2-phenylisoxazolidine isomer
SpectraBase Compound ID F1sTbFjU4G1
InChI InChI=1S/C30H28NO3P/c1-23(35(33,26-18-10-4-11-19-26)27-20-12-5-13-21-27)29-22-28(30(32)24-14-6-2-7-15-24)31(34-29)25-16-8-3-9-17-25/h2-21,23,28-29H,22H2,1H3
InChIKey OWSJVYQGPZCMQY-UHFFFAOYSA-N
Mol Weight 481.53 g/mol
Molecular Formula C30H28NO3P
Exact Mass 481.180681 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JLFuglb8mot
Name 3-Benzoyl-5-(1'-diphenylphosphinoylethyl)-2-phenylisoxazolidine isomer
Comments Computed using HOSE algorithm
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Exact Mass 481.180680761 u
Formula C30H28NO3P
InChI InChI=1S/C30H28NO3P/c1-23(35(33,26-18-10-4-11-19-26)27-20-12-5-13-21-27)29-22-28(30(32)24-14-6-2-7-15-24)31(34-29)25-16-8-3-9-17-25/h2-21,23,28-29H,22H2,1H3
InChIKey OWSJVYQGPZCMQY-UHFFFAOYSA-N
Molecular Weight 481.532 g/mol
SMILES C1(N(OC(C1)C(P(=O)(C1=CC=CC=C1)C1=CC=CC=C1)C)C1=CC=CC=C1)C(=O)C1=CC=CC=C1