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1-[([(trimethylammonium)-ethoxy]-phosphinyl)-oxy]-docosane

View entire compound with spectra: 2 NMR

1-[([(trimethylammonium)-ethoxy]-phosphinyl)-oxy]-docosane
SpectraBase Compound ID GpkegXHYunQ
InChI InChI=1S/C27H59NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-31-33(29,30)32-27-25-28(2,3)4/h5-27H2,1-4H3,(H,29,30)
InChIKey ZEHWVZYNVLYZEK-UHFFFAOYSA-N
Mol Weight 492.7 g/mol
Molecular Formula C27H59NO4P
Exact Mass 492.418171 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ITV3Xz9SAFL
Name 1-[([(trimethylammonium)-ethoxy]-phosphinyl)-oxy]-docosane
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 492.418171378 u
Formula C27H59NO4P
InChI InChI=1S/C27H59NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-31-33(29,30)32-27-25-28(2,3)4/h5-27H2,1-4H3,(H,29,30)
InChIKey ZEHWVZYNVLYZEK-UHFFFAOYSA-N
Molecular Weight 492.746 g/mol
Nominal Mass 492 u
SMILES C(OP(=O)(O)OCC[N](C)(C)C)CCCCCCCCCCCCCCCCCCCCC