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3,5,9-Trioxa-4-phosphaheptacosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxooctadecyl)oxy]-, hydroxide, inner salt, 4-oxide, (R)-

View entire compound with spectra: 2 NMR, and 1 MS (GC)

3,5,9-Trioxa-4-phosphaheptacosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxooctadecyl)oxy]-, hydroxide, inner salt, 4-oxide, (R)-
SpectraBase Compound ID 5vnIsFBFFQo
InChI InChI=1S/C44H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h42H,6-41H2,1-5H3
InChIKey NRJAVPSFFCBXDT-UHFFFAOYSA-N
Mol Weight 790.2 g/mol
Molecular Formula C44H88NO8P
Exact Mass 789.624756 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KRr7FC5UpwZ
Name 3,5,9-Trioxa-4-phosphaheptacosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxooctadecyl)oxy]-, hydroxide, inner salt, 4-oxide, (R)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 789.624755788 u
Formula C44H88NO8P
InChI InChI=1S/C44H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h42H,6-41H2,1-5H3
InChIKey NRJAVPSFFCBXDT-UHFFFAOYSA-N
Molecular Weight 790.161 g/mol
SMILES C(OC(CCCCCCCCCCCCCCCCC)=O)(COP(OCC[N+](C)(C)C)([O-])=O)COC(CCCCCCCCCCCCCCCCC)=O