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3-o-[1,2-o-Isopropylidenglycero-3-o-(o-benzyl)phosphito]-(N-benzyl)propanolamine
SpectraBase Compound ID BBVO3GwdERY
InChI InChI=1S/C23H32NO5P/c1-23(2)25-18-22(29-23)19-28-30(27-17-21-12-7-4-8-13-21)26-15-9-14-24-16-20-10-5-3-6-11-20/h3-8,10-13,22,24H,9,14-19H2,1-2H3
InChIKey YRZQSAUFKPGMDO-UHFFFAOYSA-N
Mol Weight 433.5 g/mol
Molecular Formula C23H32NO5P
Exact Mass 433.20181 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L3wRtyVbAhq
Name 3-o-[1,2-o-Isopropylidenglycero-3-o-(o-benzyl)phosphito]-(N-benzyl)propanolamine
Comments Computed using HOSE algorithm
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Exact Mass 433.201810127 u
Formula C23H32NO5P
InChI InChI=1S/C23H32NO5P/c1-23(2)25-18-22(29-23)19-28-30(27-17-21-12-7-4-8-13-21)26-15-9-14-24-16-20-10-5-3-6-11-20/h3-8,10-13,22,24H,9,14-19H2,1-2H3
InChIKey YRZQSAUFKPGMDO-UHFFFAOYSA-N
Molecular Weight 433.485 g/mol
SMILES N(CCCOP(OCC1COC(O1)(C)C)OCc1ccccc1)Cc1ccccc1