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rac-(2-Methoxy-3-octadecyloxy)propyl-1-phosphonocholine

View entire compound with spectra: 2 NMR

rac-(2-Methoxy-3-octadecyloxy)propyl-1-phosphonocholine
SpectraBase Compound ID 3zWRKjwHOyw
InChI InChI=1S/C27H58NO5P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-32-25-27(31-5)26-34(29,30)33-24-22-28(2,3)4/h27H,6-26H2,1-5H3
InChIKey HFCLNDBBRHCTQD-UHFFFAOYSA-N
Mol Weight 507.7 g/mol
Molecular Formula C27H58NO5P
Exact Mass 507.405261 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 462wauQ9so
Name rac-(2-Methoxy-3-octadecyloxy)propyl-1-phosphonocholine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 507.405260965 u
Formula C27H58NO5P
InChI InChI=1S/C27H58NO5P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-32-25-27(31-5)26-34(29,30)33-24-22-28(2,3)4/h27H,6-26H2,1-5H3
InChIKey HFCLNDBBRHCTQD-UHFFFAOYSA-N
Molecular Weight 507.737 g/mol
SMILES C(OP(=O)([O-])CC(COCCCCCCCCCCCCCCCCCC)OC)C[N+](C)(C)C