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3-o-(Glycero-3-o-phosphoryl)-(N-benzyl)propanolamine
SpectraBase Compound ID JbSaYN2lN5
InChI InChI=1S/C13H22NO6P/c15-10-13(16)11-20-21(17,18)19-8-4-7-14-9-12-5-2-1-3-6-12/h1-3,5-6,13-16H,4,7-11H2,(H,17,18)
InChIKey IQLWBOPMZDLRLU-UHFFFAOYSA-N
Mol Weight 319.29 g/mol
Molecular Formula C13H22NO6P
Exact Mass 319.118474 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9TFdeAEW87v
Name 3-o-(Glycero-3-o-phosphoryl)-(N-benzyl)propanolamine
Comments Computed using HOSE algorithm
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Exact Mass 319.118474424 u
Formula C13H22NO6P
InChI InChI=1S/C13H22NO6P/c15-10-13(16)11-20-21(17,18)19-8-4-7-14-9-12-5-2-1-3-6-12/h1-3,5-6,13-16H,4,7-11H2,(H,17,18)
InChIKey IQLWBOPMZDLRLU-UHFFFAOYSA-N
Molecular Weight 319.294 g/mol
SMILES OCC(COP(=O)([O-])OCCC[NH2+]Cc1ccccc1)O