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o-(2-Stearoyloxyethyl)-o-(2-trimethylammonioethyl)thiophosphate

View entire compound with spectra: 2 NMR

o-(2-Stearoyloxyethyl)-o-(2-trimethylammonioethyl)thiophosphate
SpectraBase Compound ID LDzHKPNYO3V
InChI InChI=1S/C25H52NO5PS/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(27)29-23-24-31-32(28,33)30-22-21-26(2,3)4/h5-24H2,1-4H3
InChIKey XDVGAAJQAIDUCW-UHFFFAOYSA-N
Mol Weight 509.7 g/mol
Molecular Formula C25H52NO5PS
Exact Mass 509.330382 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9I5qsG3kpC1
Name o-(2-Stearoyloxyethyl)-o-(2-trimethylammonioethyl)thiophosphate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 509.330381945 u
Formula C25H52NO5PS
InChI InChI=1S/C25H52NO5PS/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(27)29-23-24-31-32(28,33)30-22-21-26(2,3)4/h5-24H2,1-4H3
InChIKey XDVGAAJQAIDUCW-UHFFFAOYSA-N
Molecular Weight 509.727 g/mol
SMILES C(OP(=S)(OCC[N+](C)(C)C)[O-])COC(=O)CCCCCCCCCCCCCCCCC