SpectraBase Compound ID | JbSaYN2lN5 |
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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 |
SpectraBase Spectrum ID | 9TFdeAEW87v |
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Name | 3-o-(Glycero-3-o-phosphoryl)-(N-benzyl)propanolamine |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
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 |